SCHEMBL31491301

SCHEMBL31491301

O=c1ccc2ccc(Nc3nc(N4CC(c5ccc(Cl)cc5)C4)nc4c3[S@+]([O-])CC4)cc2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ ROCK2 O75116 3/20 0.33
▸ TACR2 P21452 1/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CCR4 P51679 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
SCHEMBL31491366 0.80 KIF11 (0.39) KIF11MEN1KMT2A
SCHEMBL31491342 0.79 PDE4B (0.35) SCN9ATACR2
SCHEMBL31491362 0.69 SCN9A (0.39) SCN9ATACR2
SCHEMBL15976789 0.68 CHIT1 (0.33) SCN9AMEN1KMT2A
SCHEMBL8064967 0.67 DRD2 (0.39) SCN9ATACR2CCR4
SCHEMBL186820 0.67 SRD5A1 (0.43) SCN9AMEN1GAATSHRKMT2A
SCHEMBL31491344 0.66 PDE4B (0.35) TACR2
SCHEMBL8040790 0.66 DRD2 (0.37) SCN9A
SCHEMBL374023 0.66 DRD2 (0.37) SCN9A
SCHEMBL15800089 0.66 CHIT1 (0.35) SCN9A

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
WO-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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