SCHEMBL31589691

SCHEMBL31589691

Cc1ccc(S(=O)(=O)n2ccc3c(Oc4ccc(Cl)c(F)c4)cn(C)c(=O)c32)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.51
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ PTGER3 P43115 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ HTR2A P28223 2/20 0.34
▸ SLC6A4 P31645 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ PLA2G7 Q13093 1/20 0.34

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
SCHEMBL31590152 0.85 BRD4 (0.51) BRD4
SCHEMBL31589806 0.76 BRD4 (0.58) BRD4
SCHEMBL31395534 0.74 BRD4 (0.51) BRD4ALDH1A1KMT2A
SCHEMBL27391653 0.73 BRD4 (0.54) BRD4CYP2C19
SCHEMBL31395489 0.73 BRD4 (0.59) BRD4
SCHEMBL27438221 0.73 BRD4 (0.56) BRD4
SCHEMBL15069411 0.71 BRD4 (0.55) BRD4
SCHEMBL31395498 0.71 BRD4 (0.55) BRD4
SCHEMBL15772281 0.71 BRD4 (0.54) BRD4
SCHEMBL31589747 0.71 BRD4 (0.55) BRD4ALDH1A1MAPTKMT2A

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-120040445-A Heterocyclopyridine-7-one compound and medical application thereof 浙江大学金华研究院 2025-05-27 — — CN disclosed
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