SCHEMBL4582709

SCHEMBL4582709

O=[N+]([O-])c1ccc(O)c(Br)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
CTSB P07858 3/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 1/20 0.52
HIF1A Q16665 1/20 0.52
GPR35 Q9HC97 4/20 0.48
MAPK1 P28482 2/20 0.48
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 6/20 0.44
CASP6 P55212 2/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CA12 O43570 1/20 0.44

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
SCHEMBL29619677 0.85 HPGD (0.50) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL25223930 0.85 HPGD (0.50) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL7063754 0.83 GPR35 (0.55) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL11416696 0.83 GPR35 (0.55) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL34473110 0.82 MAPT (0.53) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL27721236 0.82 SMN1; SMN2 (0.47) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL1993159 0.82 CYP1A2 (0.52) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL970971 0.81 GPR35 (0.62) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL15811523 0.79 ALDH5A1 (0.50) SMN1; SMN2CTSBTP53HPGDTSHR
SCHEMBL1063867 0.77 GPR35 (0.48) SMN1; SMN2CTSBTP53HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107675496-B Fabric flame-retardant finishing liquid, preparation method and application 国铁新材(北京)科技有限公司 2021-03-26 CN disclosed
US-20080178757-A1 PYROTECHNIC CHARGE DIEHL BGT DEFENCE GMBH & CO., KG (DE) 2008-07-31 US disclosed
EP-1876161-A1 Pyrotechnical charge Diehl BGT Defence GmbH & Co.KG (DE) 2008-01-09 EP disclosed
EP-1587783-A4 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL MYERS SQUIBB CO (US) 2006-11-08 EP disclosed
EP-1587783-A2 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2005-10-26 EP disclosed
WO-2004066929-A2 CYCLOALKYL CONTAINING ANILIDE LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-12 WO disclosed
WO-2003039456-A2 PROCESS FOR THE PREPARATION OF ANILINE-DERIVED THYROID RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO disclosed
EP-1257526-A1 ANILINE-DERIVED LIGANDS FOR THE THYROID RECEPTOR Bristol-Myers Squibb Company (US) 2002-11-20 EP disclosed
WO-2001060784-A1 ANILINE-DERIVED LIGANDS FOR THE THYROID RECEPTOR BRISTOL-MYERS SQUIBB CO. (US) 2001-08-23 WO disclosed
EP-0906315-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997049710-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-31 WO disclosed
EP-0320194-B1 ABSORBENT FOR FREE HEMOGLOBIN Japan Medical Supply Co., Ltd. (JP) 1992-02-26 EP disclosed
US-4952322-A USING WATER INSOLUBLE POROUS CARRIER WITH PHENYL OR PHENOL GROUPS ON SURFACE JAPAN MEDICAL SUPPLY CO., LTD. (JP) 1990-08-28 US disclosed
EP-0336390-A2 Process for producing thermoset resin TEIJIN LIMITED (JP) 1989-10-11 EP disclosed
EP-0320194-A1 Absorbent for free hemoglobin Japan Medical Supply Co., Ltd. (JP) 1989-06-14 EP disclosed
EP-0273368-A2 Process for producing thermoset resin TEIJIN LIMITED (JP) 1988-07-06 EP disclosed