SCHEMBL2682001

SCHEMBL2682001

O=[N+]([O-])c1cc(CBr)cc([N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.54
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
VCAM1 P19320 1/20 0.45
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.42
POLB P06746 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL629543 0.95 CYP19A1 (0.48) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL29735419 0.87 ACP1 (0.42) CYP19A1TSHRLMNACYP3A4ALDH1A1
SCHEMBL602087 0.87 ACP1 (0.42) CYP19A1TSHRLMNACYP3A4ALDH1A1
SCHEMBL28092839 0.86 CYP19A1 (0.40) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL31366655 0.86 ALDH1A1 (0.46) CYP19A1TSHRCYP3A4ALDH1A1HTT
SCHEMBL1098949 0.86 CYP19A1 (0.40) CYP19A1TSHRLMNACYP3A4SMN1; SMN2
SCHEMBL27760065 0.86 CYP19A1 (0.40) CYP19A1TSHRLMNAVCAM1CYP3A4
SCHEMBL4926495 0.86 ALDH1A1 (0.46) CYP19A1TSHRCYP3A4ALDH1A1HTT
SCHEMBL1099443 0.86 TSHR (0.63) CYP19A1TSHRLMNACYP3A4ALDH1A1
SCHEMBL31347505 0.86 ALDH1A1 (0.46) CYP19A1TSHRLMNACYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed
US-9631096-B2 Dye compositions, methods of preparation, conjugates thereof, and methods of use CORNELL UNIVERSITY (US) 2017-04-25 US disclosed
US-20150011731-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2015-01-08 US disclosed
US-20150011731-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2015-01-08 US disclosed
US-20150011731-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2015-01-08 US disclosed
WO-2013109859-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2013-07-25 WO disclosed
WO-2013109859-A1 DYE COMPOSITIONS, METHODS OF PREPARATION, CONJUGATES THEREOF, AND METHODS OF USE CORNELL UNIVERSITY (US) 2013-07-25 WO disclosed
US-20120116045-A1 Liquid Crystal Alignment Agent, Liquid Crystal Alignment Film Manufactured Using the Same, and Liquid Crystal Display Device Including the Liquid Crystal Alignment Film CHEIL INDUSTRIES INC. (KR) 2012-05-10 US disclosed
US-7303792-B2 Diaminobenzene derivative, polyimide precursor and polyimide obtained therefrom, and aligning agent for liquid crystal NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-04 US disclosed
EP-0579757-B1 PERFLUOROALKYLATED AMINE AND POLYMERS MADE THEREFROM DU PONT (US) 1997-03-19 EP disclosed
EP-0452725-B1 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEM RES (JP) 1995-11-08 EP disclosed
EP-0635533-A1 Polyimide-based liquid crystal aligning agent SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 EP disclosed
EP-0579757-A1 PERFLUOROALKYLATED AMINES, AND POLYMERS MEDE THEREFROM. DU PONT (US) 1994-01-26 EP disclosed
US-5280103-A Polyimides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1994-01-18 US disclosed
WO-1992017438-A1 PERFLUOROALKYLATED AMINES, AND POLYMERS MEDE THEREFROM E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-10-15 WO disclosed
US-5153304-A Polyimides; liquid crystal tilting agent; water-repelling SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-10-06 US disclosed
US-5145999-A PERFLUOROALKYLATED AMINES, AND POLYMERS MADE THEREFROM E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-08 US disclosed
US-5144078-A Polyimide intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-09-01 US disclosed
EP-0452725-A2 Fluorine containing diaminobenzene derivatives and its use SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-23 EP disclosed