SCHEMBL30050073

SCHEMBL30050073

O=C1OCCN1c1ccc(S(=O)(=O)N2CCCC3(CCN(Cc4ccccc4F)CC3)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 13/20 0.43
▸ CYP2D6 P10635 11/20 0.43
▸ CYP1A2 P05177 8/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ LMNA P02545 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TSHR P16473 7/20 0.42
▸ USP2 O75604 6/20 0.42
▸ ATM Q13315 1/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ KCNJ1 P48048 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL27162246 1.00 CYP3A4 (0.43) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL27162591 0.96 SMN1; SMN2 (0.40) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30049542 0.96 SMN1; SMN2 (0.40) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL27162042 0.92 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30049081 0.92 CYP3A4 (0.47) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30050034 0.91 SMN1; SMN2 (0.43) CYP3A4CYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL27162198 0.91 SMN1; SMN2 (0.43) CYP3A4CYP2D6ALDH1A1SMN1; SMN2LMNA
SCHEMBL30050705 0.91 CYP3A4 (0.40) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL27162324 0.91 CYP3A4 (0.40) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL30049623 0.88 CYP3A4 (0.56) CYP3A4CYP2D6CYP1A2ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4330248-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-03-06 — — EP claimed
WO-2022229405-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-11-03 — — WO claimed
EP-4330248-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS Acondicionamiento Tarrasense (ES) 2024-03-06 — — EP disclosed
WO-2022229405-A1 PYRIDINE-SULFONAMIDE DERIVATIVES AS SIGMA LIGANDS ACONDICIONAMIENTO TARRASENSE (ES) 2022-11-03 — — WO disclosed
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