SCHEMBL23620213

SCHEMBL23620213

COc1nccc2c(SN)cc(NC(=O)Cc3cccc(C)c3O)cc12

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 4/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 1/20 0.38
TTK P33981 1/20 0.36
MAPK8 P45983 3/20 0.36
MAPK9 P45984 3/20 0.36
MAPK10 P53779 3/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HAO1 Q9UJM8 1/20 0.35
CSF1R P07333 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL23619949 0.85 ANO1 (0.47) ANO1MAPK8MAPK9
SCHEMBL23620199 0.84 SMN1; SMN2 (0.45) ANO1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL24713235 0.83 ANO1 (0.38) ANO1MEN1KMT2ATSHRTTK
SCHEMBL23620072 0.83 NR2E1 (0.42) MEN1KMT2ATSHRMAPK8MAPK9
SCHEMBL23620207 0.81 MEN1 (0.44) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL23619976 0.81 ANO1 (0.49) ANO1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL23619780 0.80 RECQL (0.53) ANO1MEN1KMT2AMAPT
SCHEMBL23620024 0.80 SMN1; SMN2 (0.47) ANO1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL23620035 0.80 RECQL (0.39) ANO1SMN1; SMN2CSF1RPDGFRB
SCHEMBL23620047 0.79 ANO1 (0.49) ANO1MEN1KMT2ATSHRSMN1; SMN2

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-2021136238-A1 FUSED RING COMPOUND AND APPLICATION THEREOF 武汉朗来科技发展有限公司 2021-07-08 WO disclosed