SCHEMBL7225370

SCHEMBL7225370

CC(=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 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM1A O60341 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
NQO2 P16083 1/20 0.39
FYN P06241 2/20 0.39
PTPN1 P18031 1/20 0.39
TP53 P04637 1/20 0.38
STAT1 P42224 1/20 0.38
PTGIR P43119 1/20 0.38

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
SCHEMBL7232527 0.92 USP30 (0.42) USP30NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7232579 0.90 PTPN11 (0.43) USP30SMN1; SMN2ALDH1A1FYNPTPN1
SCHEMBL7229786 0.88 TYRO3 (0.42) USP30KDM1AFYNP2RX7AAK1
SCHEMBL7230386 0.88 USP30 (0.38) USP30NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7224277 0.88 USP30 (0.43) USP30NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7230934 0.87 KDM1A (0.43) USP30NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7226302 0.86 NPC1 (0.52) USP30NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7224212 0.86 USP30 (0.41) USP30NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7225292 0.86 P2RX7 (0.43) USP30NPC1RAB9ASMN1; SMN2POLB
SCHEMBL7223211 0.86 USP30 (0.41) USP30NPC1RAB9ASMN1; SMN2POLB

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