SCHEMBL1532371

SCHEMBL1532371

Cc1ccc(NC(=O)C[N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
HDAC3 O15379 2/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC11 Q96DB2 2/20 0.51
HDAC8 Q9BY41 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9641130 0.88 POLB (0.62) POLBHDAC3HDAC1HDAC2HDAC10
SCHEMBL11839824 0.88 KMT2A (0.57) POLBALDH1A1MEN1KMT2AHTT
SCHEMBL694247 0.84 CYP1A1 (0.53) ALDH1A1LMNAMEN1KMT2AHTT
SCHEMBL10965290 0.83 MAPT (0.58) POLBALDH1A1TDP1LMNAMEN1
SCHEMBL4835086 0.82 MEN1 (0.65) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL2933871 0.82 KMT2A (0.63) KDM4EALDH1A1TDP1LMNAMEN1
SCHEMBL11763476 0.82 KMT2A (0.59) POLBALDH1A1TDP1LMNAMEN1
SCHEMBL572726 0.82 GAA (0.56) HDAC3HDAC1HDAC2HDAC6KDM4E
SCHEMBL733776 0.81 EPHX2 (0.53) HDAC1HDAC11HDAC8HDAC6HDAC4
SCHEMBL5306821 0.81 SMN1; SMN2 (0.58) POLBALDH1A1LMNAMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999130-B Preparation method of o-nitroanilide compound 湖北工业大学 2023-09-29 CN disclosed
CN-113999130-A Preparation method of o-nitroanilide compound 湖北工业大学 2022-02-01 CN disclosed
EP-2292585-B1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT WEST LAFAYETTE LLC (US) 2016-04-27 EP disclosed
US-8920559-B2 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (WEST LAFAYETTE), LLC (US) 2014-12-30 US disclosed
US-20110251426-A1 SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND S.S.C.I., INC. (US) 2011-10-13 US disclosed
EP-2292585-A1 Screening for solid forms by ultrasound crystallization and cocrystallization using ultrasound APTUIT (KANSAS CITY), LLC (US) 2011-03-09 EP disclosed
US-20070287194-A1 Screening For Solid Forms By Ultrasound Crystallization And Cocrystallization Using Ultrasound S.S.C.I., INC 2007-12-13 US disclosed
US-20070051298-A1 Method of searching for and generating high free energy forms APTUIT (WEST LAFAYETTE), LLC 2007-03-08 US disclosed
EP-1740930-A2 SCREENING FOR SOLID FORMS BY ULTRASOUND CRYSTALLIZATION AND COCRYSTALLIZATION USING ULTRASOUND S.S.C.I., Inc (US) 2007-01-10 EP disclosed
US-7041169-B2 Methods of generating and screening for high free energy forms in capillaries S.S.C.I., INC. (US) 2006-05-09 US disclosed
US-20040209304-A1 Methods of searching for solid forms and screening a sample according to its forms PURDUE RESEARCH FOUNDATION 2004-10-21 US disclosed
US-20040139909-A1 Methods of generating and screening for high free energy forms in capillaries APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2004-07-22 US disclosed
US-6750064-B2 Methods of screening for possible solid forms S.S.C.I. INC. 2004-06-15 US disclosed
US-6642060-B2 Generation of free energy forms of sample; obtain sample, solidify, isolate high energy form of sample S.S.C.I., INC. 2003-11-04 US disclosed
EP-1354079-A2 METHODS OF SEARCHING FOR SOLID FORMS AND SCREENING A SAMPLE ACCORDING TO ITS FORMS S.S.C.I., Inc (US) 2003-10-22 EP disclosed
US-20030190758-A1 Methods of searching for solid forms and screening a sample according to its forms APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2003-10-09 US disclosed
EP-1348046-A2 METHOD OF SEARCHING FOR AND GENERATING HIGH FREE ENERGY FORMS S.S.C.I., Inc (US) 2003-10-01 EP disclosed
US-20020146842-A1 Method of searching for and generating high free energy forms APOLLO ADMINISTRATIVE AGENCY LLC, AS SUCCESSOR AGENT 2002-10-10 US disclosed
WO-2002052919-A2 METHODS OF SEARCHING FOR SOLID FORMS AND SCREENING A SAMPLE ACCORDING TO ITS FORMS S.S.C.I., INC. (US) 2002-07-11 WO disclosed
WO-2002054043-A2 METHOD OF SEARCHING FOR AND GENERATING HIGH FREE ENERGY FORMS S.S.C.I., INC. (US) 2002-07-11 WO disclosed