SCHEMBL30853366

SCHEMBL30853366

COn1cc2cc(C3COCN3)cc(C(=O)O)c2n1

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ DHODH Q02127 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
SCHEMBL30853380 0.90 ATR (0.30) —
SCHEMBL29844186 0.79 SERPINE1 (0.36) DHODH
SCHEMBL30853376 0.65 TLR8 (0.41) ALDH1A1HPGDLMNADHODH
SCHEMBL29168454 0.64 PKM (0.31) —
SCHEMBL30853389 0.56 DGAT1 (0.33) —
SCHEMBL2428009 0.55 TLR8 (0.38) DHODH
SCHEMBL20239607 0.54 ALDH1A1 (0.40) ALDH1A1HPGDLMNA
SCHEMBL25207713 0.53 HSD17B10 (0.42) DHODH
SCHEMBL21723279 0.48 KDM4E (0.47) ALDH1A1HPGDLMNA
SCHEMBL12155222 0.48 — —

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-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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