SCHEMBL9501551

SCHEMBL9501551

CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1C(O)C1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.58
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
TSHR P16473 2/20 0.58
PTGS1 P23219 2/20 0.58
PTGS2 P35354 2/20 0.58
KMT2A Q03164 2/20 0.58
PTGES O14684 1/20 0.58
CYP2D6 P10635 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TBXA2R P21731 4/20 0.45
SLC6A2 P23975 2/20 0.45

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
SCHEMBL10656508 0.77 CYP19A1 (0.64) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL4603877 0.77 CYP19A1 (0.65) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9502616 0.75 CYP19A1 (0.60) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9501952 0.75 CYP19A1 (0.68) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9503492 0.75 CYP19A1 (0.62) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9504767 0.74 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
Ns-398 SCHEMBL214213 0.74 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL9504735 0.74 CYP19A1 (0.61) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
Ns-398 SCHEMBL29368077 0.74 CYP19A1 (1.00) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1
Cyclohexane SCHEMBL9501557 0.74 CYP19A1 (0.57) CYP19A1MAPTSMN1; SMN2ALDH1A1MEN1

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