SCHEMBL23559710

SCHEMBL23559710

COC(=O)c1ccc2c(c1)c(C)nn2C1CSC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTR7 P34969 3/20 0.38
▸ RPS6KB1 P23443 1/20 0.37
▸ PDE7A Q13946 5/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SCARB1 Q8WTV0 2/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36

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
SCHEMBL28962269 0.86 TEAD1 (0.47) KDM4EPDE7AALDH1A1HPGDHSD17B10
SCHEMBL23535749 0.85 KDM4E (0.40) KDM4ENPC1RAB9AHTR7RPS6KB1
SCHEMBL28962406 0.85 CHRNB2 (0.40) KDM4ENPC1RAB9ARPS6KB1ALDH1A1
SCHEMBL30159583 0.85 KDM4E (0.40) KDM4ENPC1RAB9AHTR7RPS6KB1
SCHEMBL23535820 0.85 KDM4E (0.43) KDM4ERAB9AHTR7RPS6KB1ALDH1A1
SCHEMBL30159511 0.85 KDM4E (0.43) KDM4ERAB9AHTR7RPS6KB1ALDH1A1
SCHEMBL23535751 0.84 KDM4E (0.39) KDM4ENPC1RAB9AHTR7RPS6KB1
SCHEMBL28962407 0.83 NPC1 (0.39) KDM4ENPC1RAB9AHTR7RPS6KB1
SCHEMBL30864306 0.81 KDM4E (0.43) KDM4ENPC1RAB9AHTR7RPS6KB1
SCHEMBL23559846 0.79 AXL (0.43) KDM4ENPC1RAB9ARPS6KB1PDE7A

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-2021127166-A1 INHIBITORS OF ENL/AF9 YEATS THE ROCKEFELLER UNIVERSITY (US) 2021-06-24 — — WO disclosed
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