SCHEMBL29856743

SCHEMBL29856743

CC(C)c1cc2ccncc2n1C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ ATM Q13315 1/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ AOC3 Q16853 4/20 0.38
▸ TOP2A P11388 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CYP19A1 P11511 2/20 0.37
▸ HASPIN Q8TF76 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 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
SCHEMBL14327804 1.00 MAPT (0.44) MAPTATMKCNH2AOC3TOP2A
SCHEMBL23478504 0.86 ATM (0.41) MAPTATMTOP2AHASPINROCK2
SCHEMBL22016213 0.77 MAPT (0.40) MAPTKCNH2TOP2ANAMPTCYP19A1
SCHEMBL10151406 0.76 MAPT (0.47) MAPTATMKCNH2AOC3TOP2A
SCHEMBL19233685 0.74 MAPT (0.46) MAPTKCNH2TOP2ACYP19A1HASPIN
SCHEMBL22502909 0.74 MAPT (0.46) MAPTKCNH2TOP2ACYP19A1HASPIN
SCHEMBL9887744 0.73 KMT2A (0.55) MAPT
SCHEMBL1569013 0.72 MCL1 (0.60) MAPTNAMPTHASPIN
SCHEMBL30220531 0.72 MCL1 (0.60) MAPTNAMPTHASPIN
SCHEMBL26828095 0.72 KMT2A (0.64) MAPTATMKCNH2AOC3TOP2A

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 — — WO disclosed
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