SCHEMBL8942347

SCHEMBL8942347

CS(=O)(=O)Nc1cc(NC(=O)CN)c([N+](=O)[O-])cc1Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MEN1 O00255 4/20 0.55
MAPK1 P28482 3/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2C9 P11712 3/20 0.55
CYP3A4 P08684 2/20 0.55
PTGS1 P23219 2/20 0.55
PTGS2 P35354 2/20 0.55
CYP19A1 P11511 2/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 2/20 0.55
MLNR O43193 1/20 0.55
MMP1 P03956 1/20 0.55
MPO P05164 1/20 0.55
GLA P06280 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55

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
Hydrochloric Acid SCHEMBL8942526 0.99 MAPT (0.54) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL8942460 0.91 MAPT (0.56) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL8942431 0.89 SMN1; SMN2 (0.54) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL9574619 0.87 SMN1; SMN2 (0.60) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL8942209 0.87 MAPT (0.53) MAPTKMT2ASMN1; SMN2MEN1MAPK1
Propylamine SCHEMBL8942462 0.87 CYP19A1 (0.53) MAPTKMT2ASMN1; SMN2MEN1MAPK1
Propylamine SCHEMBL8942300 0.86 CYP19A1 (0.52) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL8942456 0.86 SMN1; SMN2 (0.52) MAPTKMT2ASMN1; SMN2MEN1MAPK1
Hydrochloric Acid SCHEMBL8942296 0.85 SMN1; SMN2 (0.51) MAPTKMT2ASMN1; SMN2MEN1MAPK1
SCHEMBL9561587 0.85 SMN1; SMN2 (0.57) MAPTKMT2ASMN1; SMN2MEN1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5521311-A USEFUL AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS AND ANTI-ALLERGENIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0685461-A1 5-AMINOACETYLAMINOSULFONANILIDE COMPOUND TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-12-06 EP disclosed