SCHEMBL30968192

SCHEMBL30968192

COc1cc(OC)nc(-n2c(=O)sc3cc(F)c(N4C(=O)C5CCCCN5C4=O)cc32)n1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
PPOX P50336 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL9838750 0.78 AR (0.39) AR
SCHEMBL29253166 0.78 GRM7 (0.38)
SCHEMBL29253205 0.77 KMT2A (0.31) KMT2A
SCHEMBL29253191 0.77
SCHEMBL9837316 0.76 AR (0.38) AR
SCHEMBL29253115 0.72
SCHEMBL29253164 0.71 POLB (0.30)
SCHEMBL30968191 0.71 POLB (0.30)
SCHEMBL30968193 0.71 ALDH1A1 (0.33) KMT2A
SCHEMBL29253273 0.71 ALDH1A1 (0.33) KMT2A

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