SCHEMBL6602432

SCHEMBL6602432

COc1ccc(NC(=O)c2ccco2)cc1OCCN(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.63
SMN1; SMN2 Q16637 6/20 0.61
RAB9A P51151 4/20 0.61
TP53 P04637 4/20 0.61
KDM4E B2RXH2 3/20 0.61
NPC1 O15118 3/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
MCHR1 Q99705 1/20 0.59
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HPGD P15428 3/20 0.54
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
PABPC1 P11940 1/20 0.54

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
SCHEMBL6608917 0.89 TSHR (0.60) TSHRSMN1; SMN2RAB9ATP53KDM4E
SCHEMBL6602378 0.89 MCHR1 (0.64) TSHRSMN1; SMN2RAB9ATP53KDM4E
SCHEMBL6602387 0.89 TSHR (0.59) TSHRSMN1; SMN2RAB9ATP53KDM4E
SCHEMBL6603827 0.79 MEN1 (0.58) RAB9ATP53KDM4ENPC1MCHR1
SCHEMBL6603180 0.78 KMT2A (0.72) SMN1; SMN2RAB9ATP53KDM4ENPC1
SCHEMBL6928640 0.78 MCHR1 (0.92) TP53KDM4EMCHR1MAPTALDH1A1
SCHEMBL7716934 0.77 RAB9A (0.81) TSHRSMN1; SMN2RAB9ATP53KDM4E
SCHEMBL11311673 0.77 SMN1; SMN2 (1.00) TSHRSMN1; SMN2RAB9ATP53KDM4E
SCHEMBL6926179 0.76 MCHR1 (0.77) SMN1; SMN2RAB9ATP53KDM4ENPC1
SCHEMBL6922320 0.76 MCHR1 (0.77) SMN1; SMN2RAB9ATP53KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102535-A4 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORP (US) 2004-09-29 EP disclosed
US-6399656-B1 USING A BENZOPYRAN-3-CARBOXAMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2002-06-04 US disclosed
EP-1102535-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2001-05-30 EP disclosed
WO-2000006085-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed