SCHEMBL7450169

SCHEMBL7450169

Brc1ccccc1-c1ccno1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
MAPK1 P28482 3/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 4/20 0.41
RAB9A P51151 4/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
EPHX2 P34913 1/20 0.41
ADRA1A P35348 3/20 0.40
ADRA1D P25100 2/20 0.40
ADRA1B P35368 2/20 0.40

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
SCHEMBL29091510 0.81 EPHX2 (0.44) CYP1A2CYP19A1CYP2C9CYP2C19MAPK1
SCHEMBL10446059 0.81 SMN1; SMN2 (0.42) CYP1A2CYP19A1CYP2C9CYP2C19MAOA
SCHEMBL28694440 0.81 ALDH1A1 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19MAOA
SCHEMBL29541546 0.77 CYP1A2 (0.47) CYP1A2CYP19A1CYP2C9CYP2C19MAPK1
SCHEMBL6817772 0.77 CYP1A2 (0.47) CYP1A2CYP19A1CYP2C9CYP2C19MAPK1
SCHEMBL6368033 0.75 ALDH1A1 (0.48) CYP1A2CYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL2415309 0.75 EPHX2 (0.58) CYP1A2CYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL12681544 0.75 SMN1; SMN2 (0.51) CYP1A2CYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL29503805 0.75 SMN1; SMN2 (0.51) CYP1A2CYP19A1CYP2C9CYP2C19ALDH1A1
SCHEMBL2310167 0.75 CYP1A2 (0.46) CYP1A2CYP19A1CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2831053-B1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-06-22 EP disclosed
EP-2831053-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS Boehringer Ingelheim International GmbH (DE) 2015-02-04 EP disclosed
WO-2013144098-A1 NEW INDANYLOXYDIHYDROBENZOFURANYLACETIC ACID DERIVATIVES AND THEIR USE AS GPR40 RECEPTOR AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-03 WO disclosed
EP-0921800-A4 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL MYERS SQUIBB CO (US) 2000-12-06 EP disclosed
EP-0921800-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-06-16 EP disclosed
WO-1997029748-A1 SUBSTITUTED BIPHENYL ISOXAZOLE SULFONAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-21 WO disclosed