SCHEMBL9504745

SCHEMBL9504745

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCC(O)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.80
MEN1 O00255 2/20 0.79
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
MAPT P10636 2/20 0.79
TSHR P16473 2/20 0.79
PTGS1 P23219 2/20 0.79
PTGS2 P35354 2/20 0.79
KMT2A Q03164 2/20 0.79
SMN1; SMN2 Q16637 2/20 0.79
PTGES O14684 1/20 0.79
ALDH1A1 P00352 1/20 0.79
CYP2D6 P10635 1/20 0.79
ALOX15 P16050 1/20 0.79
CYP2C19 P33261 1/20 0.79
KDM4E B2RXH2 1/20 0.56
MLNR O43193 1/20 0.56
LMNA P02545 1/20 0.56
MMP1 P03956 1/20 0.56
MPO P05164 1/20 0.56

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
SCHEMBL9504750 0.89 CYP19A1 (0.82) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL3296493 0.89 CYP19A1 (1.00) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL29368077 0.88 CYP19A1 (1.00) CYP19A1MEN1CYP1A2CYP3A4MAPT
SCHEMBL9504767 0.88 CYP19A1 (1.00) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL214213 0.88 CYP19A1 (1.00) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL9505633 0.87 CYP19A1 (0.98) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL9505682 0.87 CYP19A1 (0.98) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL9505672 0.87 CYP19A1 (0.98) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL9505669 0.87 CYP19A1 (0.98) CYP19A1MEN1CYP1A2CYP3A4MAPT
Ns-398 SCHEMBL9505627 0.87 CYP19A1 (0.98) CYP19A1MEN1CYP1A2CYP3A4MAPT

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 2 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