SCHEMBL7229786

SCHEMBL7229786

CS(=O)(=O)Nc1cccc(-c2ncc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)s2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 8/20 0.42
P2RX7 Q99572 2/20 0.41
USP30 Q70CQ3 1/20 0.40
FYN P06241 1/20 0.40
AXL P30530 1/20 0.39
MERTK Q12866 1/20 0.39
KDM1A O60341 1/20 0.39
PIK3CA P42336 1/20 0.38
AAK1 Q2M2I8 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PTK2 Q05397 1/20 0.37
ATR Q13535 1/20 0.37
DHX9 Q08211 1/20 0.37

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
SCHEMBL7226373 0.89 P2RX7 (0.44) P2RX7USP30AAK1
SCHEMBL7232527 0.89 USP30 (0.42) P2RX7USP30
SCHEMBL7225370 0.88 USP30 (0.42) P2RX7USP30FYNKDM1AAAK1
SCHEMBL7224277 0.85 USP30 (0.43) USP30AXLMERTKHSD17B1HSD17B2
SCHEMBL7223444 0.85 HSD17B1 (0.49) TYRO3HSD17B1HSD17B2
SCHEMBL7230934 0.84 KDM1A (0.43) USP30KDM1AHSD17B1HSD17B2
SCHEMBL7230386 0.84 USP30 (0.38) P2RX7USP30
SCHEMBL7231132 0.84 MAPK11 (0.42) USP30KDM1A
SCHEMBL7224212 0.83 USP30 (0.41) P2RX7USP30
SCHEMBL7225292 0.83 P2RX7 (0.43) P2RX7USP30AXLMERTKKDM1A

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-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US claimed
US-6562816-B2 Alpha 7 nicotine acetylcholine receptor agonist anti-psychotic agent, with reduced side effects PHARMACIA & UPJOHN COMPANY 2003-05-13 US disclosed