SCHEMBL30968191

SCHEMBL30968191

COc1cc(OC)nc(-n2c(=O)sc3cc(F)c(-n4nc5c(c4Cl)CCCC5)cc32)n1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.30
CDKN1A P38936 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
SCHEMBL29253164 1.00 POLB (0.30) POLBCDKN1A
SCHEMBL29253166 0.81 GRM7 (0.38)
SCHEMBL9368864 0.79 CNR2 (0.33)
SCHEMBL9369024 0.77 PPOX (0.34)
SCHEMBL29253205 0.76 KMT2A (0.31)
SCHEMBL9369526 0.76
SCHEMBL10568453 0.73 ACHE (0.32)
SCHEMBL30968193 0.72 ALDH1A1 (0.33) POLB
SCHEMBL29253273 0.72 ALDH1A1 (0.33) POLB
SCHEMBL29253109 0.72

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-118290415-A N-heteroaryl benzothiazole heterocyclic derivative, preparation method and application thereof 西北农林科技大学 2024-07-05 CN disclosed