SCHEMBL8942530

SCHEMBL8942530

CS(=O)(=O)Nc1cc(NC(=O)CNC2CC2)c([N+](=O)[O-])cc1Oc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
PIN1 Q13526 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 2/20 0.39
TBXA2R P21731 3/20 0.39
CCR2 P41597 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
MLNR O43193 1/20 0.37
MMP1 P03956 1/20 0.37
MPO P05164 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL8942422 0.87 HPGD (0.45) KDM4EALDH1A1PTGS1PTGS2PIN1
SCHEMBL8942212 0.84 TBXA2R (0.45) KDM4EALDH1A1PTGS1PTGS2PIN1
Butylamine SCHEMBL8942217 0.78 TBXA2R (0.45) KDM4EALDH1A1PTGS1PTGS2PIN1
SCHEMBL9233845 0.78 PTGS1 (0.40) KDM4EALDH1A1PTGS1PTGS2PIN1
SCHEMBL8942431 0.76 SMN1; SMN2 (0.54) KDM4EALDH1A1PTGS1PTGS2MEN1
SCHEMBL8942460 0.76 MAPT (0.56) KDM4EALDH1A1PTGS1PTGS2PIN1
SCHEMBL9307858 0.75 HPGD (0.51) KDM4EALDH1A1PTGS1PTGS2PIN1
SCHEMBL8942209 0.75 MAPT (0.53) KDM4EALDH1A1PTGS1PTGS2MEN1
SCHEMBL8942456 0.74 SMN1; SMN2 (0.52) KDM4EALDH1A1PTGS1PTGS2MEN1
Hydrochloric Acid SCHEMBL8942296 0.73 SMN1; SMN2 (0.51) KDM4EALDH1A1PTGS1PTGS2MEN1

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