SCHEMBL9502657

SCHEMBL9502657

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PTGS2 P35354 2/20 0.47
MEN1 O00255 1/20 0.47
PTGES O14684 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HPGD P15428 1/20 0.42
NPBWR1 P48145 1/20 0.41

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 0.88 CYP19A1 (0.61) CYP19A1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL9502669 0.87 CYP19A1 (0.60) CYP19A1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL9501608 0.83 GRIA1 (0.47) CYP19A1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL9502695 0.81 GRIA1 (0.47) CYP19A1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL9502667 0.80 HSP90AA1 (0.54) CYP19A1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL9501539 0.77 PSIP1 (0.46) ALDH1A1SMN1; SMN2PTGS2LMNAHPGD
SCHEMBL4839134 0.77 CYP19A1 (0.79) CYP19A1ALDH1A1MAPTSMN1; SMN2PTGS2
SCHEMBL29451622 0.76 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2CYP3A4ALOX15
SCHEMBL14864853 0.72 POLB (0.44) ALDH1A1MAPTSMN1; SMN2MEN1CYP1A2
SCHEMBL6814748 0.71 PDE7A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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