SCHEMBL9502616

SCHEMBL9502616

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.60
MAPT P10636 6/20 0.60
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MEN1 O00255 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
TSHR P16473 2/20 0.60
PTGS1 P23219 2/20 0.60
PTGS2 P35354 2/20 0.60
PTGES O14684 1/20 0.60
CYP2D6 P10635 1/20 0.60
ALOX15 P16050 1/20 0.60
CYP2C19 P33261 1/20 0.60
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 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
SCHEMBL4603877 0.78 CYP19A1 (0.65) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9501938 0.77 KMT2A (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1TSHR
SCHEMBL9501952 0.76 CYP19A1 (0.68) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9503492 0.76 CYP19A1 (0.62) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9501551 0.75 CYP19A1 (0.58) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6575650 0.75 CYP19A1 (0.59) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9504767 0.75 CYP19A1 (1.00) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
Ns-398 SCHEMBL29368077 0.75 CYP19A1 (1.00) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
Ns-398 SCHEMBL214213 0.75 CYP19A1 (1.00) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL9504735 0.75 CYP19A1 (0.61) CYP19A1MAPTALDH1A1KMT2ASMN1; SMN2

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