SCHEMBL10716540

SCHEMBL10716540

CS(=O)(=O)C(=CNc1ccc(Br)cn1)S(C)(=O)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.51
▸ ATM Q13315 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RAB9A P51151 6/20 0.43
▸ NPC1 O15118 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ FDPS P14324 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ EDNRA P25101 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL10718989 0.82 PKM (0.49) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10727222 0.80 MAPT (0.50) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10717754 0.80 ALDH1A1 (0.52) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10726837 0.77 PKM (0.50) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10725744 0.77 RAB9A (0.51) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10716660 0.76 ALDH1A1 (0.49) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10731823 0.76 MAPT (0.59) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10131592 0.75 ALDH1A1 (0.55) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10732444 0.74 MAPT (0.49) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL10732657 0.74 PKM (0.47) ALDH1A1ATML3MBTL1RAB9ANPC1

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-4659727-A ANTIARTHRITIC AGENTS MAY & BAKER LIMITED (GB) 1987-04-21 — — US disclosed
EP-0174832-A2 Ethene derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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