SCHEMBL8942212

SCHEMBL8942212

CCCCNCC(=O)Nc1cc(NS(C)(=O)=O)c(Oc2ccccc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.45
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HDAC1 Q13547 1/20 0.40
CCR2 P41597 1/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
PIN1 Q13526 1/20 0.40
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP19A1 P11511 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MLNR O43193 1/20 0.37
LMNA P02545 1/20 0.37
MMP1 P03956 1/20 0.37
MPO P05164 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
SCHEMBL8942502 0.89 KMT2A (0.50) TBXA2RKMT2AHDAC1PTGS1PTGS2
Hydrochloric Acid SCHEMBL8942537 0.88 KMT2A (0.49) TBXA2RKMT2AHDAC1PTGS1PTGS2
SCHEMBL8942422 0.87 HPGD (0.45) TBXA2RKMT2AALDH1A1CCR2PTGS1
Butylamine SCHEMBL8942217 0.84 TBXA2R (0.45) TBXA2RKMT2AALDH1A1CCR2PTGS1
SCHEMBL8942530 0.84 KDM4E (0.47) TBXA2RKMT2AALDH1A1CCR2PTGS1
SCHEMBL8942456 0.83 SMN1; SMN2 (0.52) TBXA2RKMT2AALDH1A1HDAC1PTGS1
Hydrochloric Acid SCHEMBL8942296 0.82 SMN1; SMN2 (0.51) TBXA2RKMT2AALDH1A1HDAC1PTGS1
SCHEMBL8942209 0.80 MAPT (0.53) TBXA2RKMT2AALDH1A1PTGS1PTGS2
SCHEMBL8942431 0.76 SMN1; SMN2 (0.54) TBXA2RKMT2AALDH1A1PTGS1PTGS2
SCHEMBL8942460 0.76 MAPT (0.56) TBXA2RKMT2AALDH1A1PTGS1PTGS2

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