SCHEMBL9504767

SCHEMBL9504767

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 1.00
PTGS2 P35354 3/20 1.00
MEN1 O00255 2/20 1.00
CYP1A2 P05177 2/20 1.00
CYP3A4 P08684 2/20 1.00
MAPT P10636 2/20 1.00
TSHR P16473 2/20 1.00
PTGS1 P23219 2/20 1.00
KMT2A Q03164 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
PTGES O14684 1/20 1.00
ALDH1A1 P00352 1/20 1.00
CYP2D6 P10635 1/20 1.00
ALOX15 P16050 1/20 1.00
CYP2C19 P33261 1/20 1.00
KDM4E B2RXH2 1/20 0.58
MLNR O43193 1/20 0.58
LMNA P02545 1/20 0.58
MMP1 P03956 1/20 0.58
MPO P05164 1/20 0.58

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
Ns-398 SCHEMBL29368077 1.00 CYP19A1 (1.00) CYP19A1PTGS2MEN1CYP1A2CYP3A4
Ns-398 SCHEMBL214213 1.00 CYP19A1 (1.00) CYP19A1PTGS2MEN1CYP1A2CYP3A4
Ns-398 SCHEMBL9505672 0.99 CYP19A1 (0.98) CYP19A1PTGS2MEN1CYP1A2CYP3A4
Ns-398 SCHEMBL9505627 0.99 CYP19A1 (0.98) CYP19A1PTGS2MEN1CYP1A2CYP3A4
Ns-398 SCHEMBL9505633 0.99 CYP19A1 (0.98) CYP19A1PTGS2MEN1CYP1A2CYP3A4
Ns-398 SCHEMBL9505669 0.99 CYP19A1 (0.98) CYP19A1PTGS2MEN1CYP1A2CYP3A4
Ns-398 SCHEMBL9505682 0.99 CYP19A1 (0.98) CYP19A1PTGS2MEN1CYP1A2CYP3A4
SCHEMBL3296493 0.99 CYP19A1 (1.00) CYP19A1PTGS2MEN1CYP1A2CYP3A4
SCHEMBL8942521 0.90 CYP19A1 (0.82) CYP19A1PTGS2MEN1CYP1A2CYP3A4
SCHEMBL9504750 0.89 CYP19A1 (0.82) CYP19A1PTGS2MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed