SCHEMBL31590154

SCHEMBL31590154

COc1nccc2cc(Oc3ccc(Cl)c(F)c3)n(S(=O)(=O)c3ccc(C)cc3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.35
▸ MAPT P10636 5/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH3A1 P30838 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NTSR1 P30989 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33

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
SCHEMBL31590546 0.79 BRD4 (0.40) SCN9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL26623306 0.74 L3MBTL1 (0.38) MAPTSMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL26623445 0.72 MEN1 (0.37) MAPTSMN1; SMN2ALDH1A1POLBKMT2A
SCHEMBL26623444 0.66 L3MBTL1 (0.53) MAPTALDH1A1POLBKMT2AALDH3A1
SCHEMBL16023209 0.64 PTGS1 (0.42) SCN9AMAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL15385004 0.64 SLC6A4 (0.47) MAPTALDH1A1POLBKMT2AL3MBTL1
SCHEMBL31589691 0.64 BRD4 (0.51) MAPTSLC22A12ALDH1A1KMT2ACYP3A4
SCHEMBL16546220 0.62 PTGS2 (0.46) SCN9AALDH1A1PTGS1PTGS2
SCHEMBL29279508 0.61 ABL1 (0.41) MAPTSMN1; SMN2ALDH1A1KMT2AALDH3A1
SCHEMBL30163260 0.61 ABL1 (0.41) MAPTSMN1; SMN2ALDH1A1KMT2AALDH3A1

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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