SCHEMBL31039486

SCHEMBL31039486

Cc1cc2c(cc1N)CC1(C2)C(=O)N(COCC[Si](C)(C)C)c2ncccc21

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.35
CALCRL Q16602 1/20 0.33
BACE1 P56817 1/20 0.32
NPC1 O15118 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL20565750 1.00 EGLN1 (0.35) EGLN1CALCRLBACE1NPC1KCNH2
SCHEMBL27308571 0.93 CALCRL (0.35) EGLN1CALCRLNPC1KCNH2SCN9A
SCHEMBL1393836 0.89 CALCRL (0.36) EGLN1CALCRLBACE1NPC1
SCHEMBL1274952 0.89 CALCRL (0.36) EGLN1CALCRLBACE1NPC1
SCHEMBL260667 0.89 CALCRL (0.36) EGLN1CALCRLBACE1NPC1
SCHEMBL29368427 0.89 CALCRL (0.36) EGLN1CALCRLBACE1NPC1
SCHEMBL23257628 0.88 EGLN1 (0.34) EGLN1CALCRLBACE1
SCHEMBL16495862 0.87 CALCRL (0.36) EGLN1CALCRLBACE1
SCHEMBL978117 0.87 CALCRL (0.36) EGLN1CALCRLBACE1
SCHEMBL31039437 0.85 POLB (0.34) EGLN1CALCRLNPC1

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-110891951-B Compounds of formula (I) 谢菲尔德大学 2024-08-20 CN disclosed