SCHEMBL8895461

SCHEMBL8895461

O=C(O)CCCc1ccc(C(Cc2ccc(F)cc2)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.47
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
TBXA2R P21731 5/20 0.46
TBXAS1 P24557 3/20 0.46
ADAMTS5 Q9UNA0 1/20 0.43
MMP2 P08253 1/20 0.43
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL8898142 1.00 S1PR1 (0.49) S1PR1NPSR1LMNAEGFRERBB2
SCHEMBL8896354 0.95 NPSR1 (0.53) S1PR1NPSR1TBXA2RTBXAS1ADAMTS5
SCHEMBL8894784 0.92 TBXAS1 (0.48) S1PR1NPSR1LMNAEGFRERBB2
SCHEMBL8895298 0.92 NPSR1 (0.50) NPSR1LMNATBXAS1MMP2ALDH1A1
SCHEMBL8894761 0.92 ADAMTS5 (0.53) S1PR1NPSR1TBXA2RTBXAS1ADAMTS5
SCHEMBL8898502 0.90 IDO1 (0.49) S1PR1NPSR1EGFRERBB2TBXA2R
SCHEMBL8895641 0.90 IDO1 (0.49) NPSR1LMNAEGFRERBB2MMP2
SCHEMBL8895574 0.90 IDO1 (0.49) S1PR1NPSR1EGFRERBB2TBXA2R
SCHEMBL8896374 0.90 ALDH1A1 (0.51) S1PR1NPSR1LMNAEGFRERBB2
SCHEMBL8895361 0.90 UTS2R (0.53) S1PR1NPSR1LMNAEGFRERBB2

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