SCHEMBL30050081

SCHEMBL30050081

O=S(=O)(c1ccc(N2CCOCC2)nc1)N1CCCC2(CCN(Cc3ccccc3)CC2)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.58
▸ CYP2D6 P10635 9/20 0.58
▸ TSHR P16473 8/20 0.58
▸ CYP1A2 P05177 6/20 0.58
▸ USP2 O75604 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ LMNA P02545 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2C9 P11712 4/20 0.48
▸ CYP2C19 P33261 4/20 0.48
▸ GAA P10253 3/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL27161993 1.00 CYP3A4 (0.58) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL31097543 0.95 ALDH1A1 (0.57) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL27162633 0.95 ALDH1A1 (0.57) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL27162872 0.92 ALDH1A1 (0.53) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL30050718 0.92 ALDH1A1 (0.53) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL27162537 0.90 ALDH1A1 (0.60) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL30050728 0.90 ALDH1A1 (0.60) CYP3A4CYP2D6TSHRCYP1A2USP2
SCHEMBL30049486 0.90 ALDH1A1 (0.63) CYP3A4CYP2D6TSHRUSP2ALDH1A1
SCHEMBL27162132 0.90 ALDH1A1 (0.63) CYP3A4CYP2D6TSHRUSP2ALDH1A1
SCHEMBL30049372 0.89 CYP3A4 (0.58) CYP3A4CYP2D6TSHRCYP1A2USP2

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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