SCHEMBL9502669

SCHEMBL9502669

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1SC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 16/20 0.60
PTGS2 P35354 3/20 0.59
MAPT P10636 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 2/20 0.59
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
TSHR P16473 2/20 0.59
PTGS1 P23219 2/20 0.59
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
PTGES O14684 1/20 0.59
CYP2D6 P10635 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MLNR O43193 1/20 0.47
MMP1 P03956 1/20 0.47
MPO P05164 1/20 0.47

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
SCHEMBL9504735 0.99 CYP19A1 (0.61) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9502657 0.87 CYP19A1 (0.47) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9502695 0.84 GRIA1 (0.47) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9501608 0.83 GRIA1 (0.47) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL8091476 0.79 PTGS2 (0.55) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL4603877 0.77 CYP19A1 (0.65) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL29451622 0.76 ALDH1A1 (0.49) MAPTSMN1; SMN2CYP3A4TSHRKMT2A
SCHEMBL9501952 0.75 CYP19A1 (0.68) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9503492 0.75 CYP19A1 (0.62) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL3296493 0.75 CYP19A1 (1.00) CYP19A1PTGS2MAPTSMN1; SMN2MEN1

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