SCHEMBL31504340

SCHEMBL31504340

O=C(NCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 2/20 0.40
▸ GPR132 Q9UNW8 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RHOA P61586 1/20 0.39
▸ MAPK14 Q16539 3/20 0.38
▸ SMO Q99835 3/20 0.38
▸ CHRM4 P08173 2/20 0.38
▸ LDLR P01130 1/20 0.37
▸ SIRT2 Q8IXJ6 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
SCHEMBL21617246 1.00 BRD4 (0.40) BRD4GPR132MEN1HPGDKMT2A
SCHEMBL31504358 0.99 HPGD (0.40) BRD4GPR132MEN1HPGDKMT2A
SCHEMBL21617185 0.99 HPGD (0.40) BRD4GPR132MEN1HPGDKMT2A
SCHEMBL21617192 0.90 BRD4 (0.42) BRD4GPR132MEN1HPGDKMT2A
SCHEMBL31504367 0.90 BRD4 (0.42) BRD4GPR132MEN1HPGDKMT2A
SCHEMBL31504323 0.90 MAPK14 (0.44) BRD4GPR132MAPK14SMOLDLR
SCHEMBL21617187 0.90 MAPK14 (0.44) BRD4GPR132MAPK14SMOLDLR
SCHEMBL21617270 0.90 CHRM4 (0.40) BRD4MEN1HPGDKMT2ACNR2
SCHEMBL31504437 0.90 CHRM4 (0.40) BRD4MEN1HPGDKMT2ACNR2
SCHEMBL21617173 0.90 BRD4 (0.41) BRD4GPR132MEN1HPGDKMT2A

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-112638877-B Phenyl/pyridinyl-N-phenyl/pyridinyl derivatives for the treatment of RNA viral infections ABIVAX公司 2025-04-22 — — CN disclosed
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