SCHEMBL7907202

SCHEMBL7907202

O=Cc1ccccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.47
HTR7 P34969 1/20 0.47
XDH P47989 1/20 0.46
ERN1 O75460 2/20 0.46
SCN2A Q99250 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOB P27338 1/20 0.43
APP P05067 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
BAX Q07812 2/20 0.42
PTPRC P08575 2/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CES1 P23141 1/20 0.42
S100A4 P26447 1/20 0.42

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
SCHEMBL27413429 0.84 HTR7 (0.46) ALDH1A1MAPTLMNAHTR7SCN2A
SCHEMBL14988299 0.84 NPC1 (0.45) ALDH1A1MAPTLMNAXDHKMT2A
SCHEMBL30497064 0.82 LMNA (0.60) ALDH1A1LMNAXDHERN1KMT2A
SCHEMBL11768743 0.82 LMNA (0.60) ALDH1A1LMNAXDHERN1KMT2A
SCHEMBL28339189 0.81 HTR7 (0.43) ALDH1A1LMNAHTR7SCN2APOLB
SCHEMBL18605359 0.81 MAPT (0.52) ALDH1A1MAPTLMNAERN1SCN2A
SCHEMBL28240316 0.81 ALDH1A1 (0.58) ALDH1A1MAPTLMNAHTR7SCN2A
SCHEMBL4262386 0.79 PTGS2 (0.52) ALDH1A1MAPTERN1POLBKMT2A
SCHEMBL7930381 0.79 ERN1 (0.56) ALDH1A1MAPTERN1POLBKMT2A
SCHEMBL9664960 0.78 TDP1 (0.60) ALDH1A1MAPTLMNAXDHERN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094557-B Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2022-11-11 CN disclosed
CN-111094557-A Alcohol dehydrogenase mutant and application thereof in synthesis of diaryl chiral alcohol 江南大学 2020-05-01 CN disclosed
US-9326930-B2 Calcium sequestration compositions and methods of treating skin pigmentation disorders and conditions NEOCUTIS S.A. (CH) 2016-05-03 US disclosed
US-6217845-B1 IMAGING; THERAPY ANORMED, INC. (CA) 2001-04-17 US disclosed
US-5753520-A BIOCHEMICAL CONJUGATED WITH A HYDRAZINE OR A HYDRAZONE COMPOUND AS DRUG DELIVERY; HIGH BIOLOGICAL SPECIFICITY; MEDICINE FOR IMAGING, THERAPY, RADIOACTIVE TAGGING JOHNSON MATTHEY INC. (US) 1998-05-19 US disclosed
EP-0384769-B1 Protein labelling JOHNSON MATTHEY PLC (GB) 1996-04-24 EP disclosed
US-5420285-A Imaging for medicine JOHNSON MATTHEY, INC. (US) 1995-05-30 US disclosed
US-5206370-A Certain pyridyl hydrazines and hydrazides useful for protein labeling JOHNSON MATTHEY, INC. (US) 1993-04-27 US disclosed
EP-0384769-A2 Protein labelling JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1990-08-29 EP disclosed
US-3966678-A Maleic anhydride-polyaldimine prepolymers RHONE-POULENC S.A. (FR) 1976-06-29 US disclosed