SCHEMBL8895641

SCHEMBL8895641

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
EGFR P00533 2/20 0.46
ERBB2 P04626 2/20 0.46
LMNA P02545 1/20 0.46
MMP2 P08253 3/20 0.43
MMP1 P03956 2/20 0.43
MMP3 P08254 2/20 0.43
MMP7 P09237 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
POLB P06746 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 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
SCHEMBL8895298 0.92 NPSR1 (0.50) NPSR1LMNAMMP2MMP9ALDH1A1
SCHEMBL8895531 0.92 MMP2 (0.53) IDO1NPSR1MMP2MMP1MMP3
SCHEMBL8895461 0.90 S1PR1 (0.49) NPSR1EGFRERBB2LMNAMMP2
SCHEMBL8896374 0.90 ALDH1A1 (0.51) NPSR1EGFRERBB2LMNATDP1
SCHEMBL8896314 0.90 ALDH1A1 (0.51) IDO1NPSR1EGFRERBB2MMP2
SCHEMBL8898502 0.90 IDO1 (0.49) IDO1NPSR1EGFRERBB2MMP2
SCHEMBL8898142 0.90 S1PR1 (0.49) NPSR1EGFRERBB2LMNAMMP2
SCHEMBL8895574 0.90 IDO1 (0.49) IDO1NPSR1EGFRERBB2MMP2
SCHEMBL8896316 0.89 IDO1 (0.43) IDO1NPSR1MMP2MMP1MMP3
SCHEMBL8896324 0.89 IDO1 (0.49) IDO1NPSR1EGFRERBB2MMP2

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