SCHEMBL4430699

SCHEMBL4430699

O=S(=O)(NCc1cccc(CO)c1)c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.65
GPR17 Q13304 1/20 0.48
TUBB P07437 1/20 0.48
TBXA2R P21731 3/20 0.48
TP53 P04637 1/20 0.46
NAMPT P43490 1/20 0.45
LMNA P02545 1/20 0.45
SLC12A2 P55011 1/20 0.45
SLC12A5 Q9H2X9 1/20 0.45

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
SCHEMBL2236105 0.83 CYP19A1 (0.58) CYP19A1
SCHEMBL15841258 0.80 CYP19A1 (0.50) CYP19A1TUBBTP53NAMPTLMNA
SCHEMBL2892895 0.79 CYP19A1 (0.48) CYP19A1TUBB
SCHEMBL30386988 0.77 ALDH1A1 (0.58) CYP19A1LMNA
SCHEMBL13747053 0.76 CYP19A1 (0.44) CYP19A1TUBBTP53NAMPTLMNA
SCHEMBL10093334 0.76 CYP19A1 (0.54) CYP19A1
SCHEMBL12919524 0.76 RAB9A (0.47) CYP19A1LMNA
SCHEMBL2896014 0.74 CYP19A1 (0.56) CYP19A1TBXA2R
SCHEMBL2896768 0.74 HSD17B1 (0.47) LMNA
SCHEMBL2010148 0.74 ALDH1A1 (0.52) TBXA2RTP53LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2137141-A1 BIPHENYL-4-YL-SULFONIC ACID ARYLAMIDES AND THEIR USE AS THERAPEUTIC AGENTS The University Court of The University of Aberdeen (GB) 2009-12-30 EP disclosed
WO-2008114022-A1 BIPHENYL-4-YL-SULFONIC ACID ARYLAMIDES AND THEIR USE AS THERAPEUTIC AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-09-25 WO disclosed