SCHEMBL4794019

SCHEMBL4794019

O=c1ccn(-c2cccs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNA7 P36544 1/20 0.32
NR1I2 O75469 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
DAO P14920 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 3/20 0.31
CYP3A4 P08684 2/20 0.31
MAPT P10636 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
PKM P14618 2/20 0.31

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
SCHEMBL141173 0.81 POLB (0.41) KMT2AALDH1A1HPGDHTTTSHR
Thiophene SCHEMBL10591457 0.74 SMN1; SMN2 (0.37) KMT2AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL191887 0.71 TLR9 (0.44) PKM
SCHEMBL25457541 0.71 MEN1 (0.35) KMT2ASMN1; SMN2POLBCYP3A4MAPT
SCHEMBL30898337 0.68 CYP3A4 (0.39) KMT2AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3636657 0.67 FBP1 (0.32)
SCHEMBL7644186 0.67 CYP3A4 (0.48) KMT2AALDH1A1TSHRNPC1RAB9A
SCHEMBL9471238 0.67 TSHR (0.46) KMT2AALDH1A1HPGDHTTTSHR
SCHEMBL11594002 0.67 MGLL (0.47) ALDH1A1HTTPKMATM
SCHEMBL3842559 0.65 ALDH1A1 (0.45) KMT2AALDH1A1HPGDHTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2002837-A1 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-17 EP disclosed
EP-1741713-A2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists Bristol-Myers Squibb Company (US) 2007-01-10 EP disclosed
EP-1237888-B1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2006-09-13 EP disclosed
US-6852745-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-08 US disclosed
US-6835741-B2 Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-6638937-B2 As antihypertensive agents; for therapy of disorders related to renal, glomerular and mesangial cell function; therapy of endotoxemia or endotoxin shock as well as hemorrhagic shock; useful in alleviation of pain associated cancer BRISTOL-MYERS SQUIBB CO. 2003-10-28 US disclosed
EP-1237888-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS Bristol-Myers Squibb Company (US) 2002-09-11 EP disclosed
EP-1094816-A4 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2001-12-19 EP disclosed
CN-1308536-A Biphenyl sulfonamides as dual angiotensin endothelin receptor antagonists BRISTOL MYERS SQUIBB CO (US) 2001-08-15 CN disclosed
WO-2001044239-A2 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
EP-1094816-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-05-02 EP disclosed
WO-2000001389-A1 BIPHENYL SULFONAMIDES AS DUAL ANGIOTENSIN ENDOTHELIN RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB CO. (US) 2000-01-13 WO disclosed