SCHEMBL9504735

SCHEMBL9504735

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1SC1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.61
PTGS2 P35354 3/20 0.61
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MEN1 O00255 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
TSHR P16473 2/20 0.61
PTGS1 P23219 2/20 0.61
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
PTGES O14684 1/20 0.61
CYP2D6 P10635 1/20 0.61
ALOX15 P16050 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MLNR O43193 1/20 0.46
MMP1 P03956 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
SCHEMBL9502669 0.99 CYP19A1 (0.60) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9502657 0.88 CYP19A1 (0.47) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9501608 0.85 GRIA1 (0.47) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9502695 0.83 GRIA1 (0.47) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL8091476 0.80 PTGS2 (0.55) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL4603877 0.79 CYP19A1 (0.65) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL29451622 0.78 ALDH1A1 (0.49) MAPTSMN1; SMN2CYP3A4TSHRKMT2A
SCHEMBL9503492 0.77 CYP19A1 (0.62) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9501952 0.77 CYP19A1 (0.68) CYP19A1PTGS2MAPTSMN1; SMN2MEN1
SCHEMBL9505608 0.76 PTGS2 (0.55) PTGS2SMN1; SMN2PTGS1KMT2AALDH1A1

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