SCHEMBL28470424

SCHEMBL28470424

COC(=O)c1ccc2c(C(C)N)nn(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39

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
SCHEMBL30040757 0.85 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23535685 0.85 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23559702 0.81 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL23559707 0.79 ADORA2A (0.47) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL28468125 0.78 LOXL2 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL24337979 0.78 CA12 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL7426182 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29950049 0.78 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL24338456 0.78 GLA (0.44) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL29491274 0.78 CA12 (0.46) KDM4EALDH1A1HPGDHSD17B10MAPT

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
CN-111825595-A Sodium channel blockers 山东轩竹医药科技有限公司 2020-10-27 — — CN disclosed
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