SCHEMBL8897066

SCHEMBL8897066

COC(=O)CCCc1ccc(C(CCc2ccc(Cl)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 2/20 0.49
TBXAS1 P24557 3/20 0.43
TBXA2R P21731 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
IDO1 P14902 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41

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
SCHEMBL8895014 0.96 UTS2R (0.56) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8896098 0.96 UTS2R (0.46) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897043 0.96 ALDH1A1 (0.46) UTS2RTBXAS1TBXA2RALDH1A1NPSR1
SCHEMBL8895435 0.95 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8895038 0.95 UTS2R (0.45) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8898580 0.95 ALDH1A1 (0.49) UTS2RMEN1KMT2AALDH1A1EGFR
SCHEMBL8896463 0.94 UTS2R (0.44) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8898667 0.94 UTS2R (0.44) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8895319 0.94 UTS2R (0.47) UTS2RTBXAS1TBXA2RMEN1KMT2A
SCHEMBL8897077 0.93 UTS2R (0.47) UTS2RTBXAS1TBXA2RMEN1KMT2A

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
US-5597848-A PLATELET AGGREGATION INHIBITORS, ANTITHROMBOTIC AGENTS, ANTIASTHMATIC AGENTS, ANTIALLERGIC AGENTS HOKURIKU SEIYAKU CO., LTD. (JP) 1997-01-28 US disclosed
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed