SCHEMBL31327696

SCHEMBL31327696

COc1cc2c(cc1C(=O)NC1CCN(C)CC1)sc1nc(-c3ccc([C@H]4CCCN4C(=O)OC(C)(C)C)cc3F)cn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.42
▸ MAPT P10636 6/20 0.39
▸ TP53 P04637 3/20 0.39
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ THRB P10828 2/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37
▸ AEBP2 Q6ZN18 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ATM Q13315 1/20 0.37

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
SCHEMBL31327687 1.00 ROCK2 (0.42) ROCK2MAPTTP53LMNAPOLB
SCHEMBL31327739 1.00 ROCK2 (0.42) ROCK2MAPTTP53LMNAPOLB
SCHEMBL30727208 1.00 ROCK2 (0.42) ROCK2MAPTTP53LMNAPOLB
SCHEMBL30727200 1.00 ROCK2 (0.42) ROCK2MAPTTP53LMNAPOLB
SCHEMBL26985381 1.00 ROCK2 (0.42) ROCK2MAPTTP53LMNAPOLB
SCHEMBL30727232 1.00 ROCK2 (0.42) ROCK2MAPTTP53LMNAPOLB
SCHEMBL31327659 0.94 MAPT (0.38) ROCK2MAPTTP53LMNAPOLB
SCHEMBL30727237 0.94 MAPT (0.38) ROCK2MAPTTP53LMNAPOLB
SCHEMBL31327685 0.94 MAPT (0.38) ROCK2MAPTTP53LMNAPOLB
SCHEMBL30727305 0.94 MAPT (0.38) ROCK2MAPTTP53LMNAPOLB

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-119255997-A Modulators of c-MYC mRNA translation and their use in the treatment of cancer 艾尼莫生物科技公司 2025-01-03 — — CN disclosed
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