SCHEMBL26044573

SCHEMBL26044573

COc1cccc(-c2csc(C(=O)Nc3cccc(N)c3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSD17B1 P14061 1/20 0.53
HSD17B2 P37059 1/20 0.53
MAPT P10636 3/20 0.52
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
THRB P10828 1/20 0.47
CNR1 P21554 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TP53 P04637 2/20 0.47
NLRP3 Q96P20 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL25369921 0.84 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL30543969 0.84 MAPT (0.60) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL30543924 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL25367000 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL30544018 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL26043694 0.82 ESRRG (0.61) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL30543881 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HSD17B1HSD17B2MAPTALDH1A1
SCHEMBL25366544 0.79 SMN1; SMN2 (0.48) SMN1; SMN2HSD17B1HSD17B2MAPTALDH1A1
SCHEMBL6870004 0.78 HSD17B1 (0.64) NPC1RAB9ASMN1; SMN2HSD17B1HSD17B2
SCHEMBL810105 0.76 RXFP1 (0.76) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023158795-A1 INHIBITORS OF RNA HELICASE DHX9 AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2023-08-24 WO disclosed