SCHEMBL8942422

SCHEMBL8942422

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.45
PTGS1 P23219 2/20 0.45
PTGS2 P35354 2/20 0.45
PIN1 Q13526 1/20 0.45
TBXA2R P21731 3/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.43
CCR2 P41597 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.42
MAPK1 P28482 2/20 0.42
AGTR1 P30556 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MLNR O43193 1/20 0.42
MMP1 P03956 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL8942460 0.88 MAPT (0.56) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL8942530 0.87 KDM4E (0.47) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL8942212 0.87 TBXA2R (0.45) HPGDPTGS1PTGS2PIN1TBXA2R
Butylamine SCHEMBL8942217 0.84 TBXA2R (0.45) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL9307858 0.81 HPGD (0.51) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL8942347 0.79 MAPT (0.55) HPGDPTGS1PTGS2TBXA2RMAPT
Hydrochloric Acid SCHEMBL8942526 0.78 MAPT (0.54) HPGDPTGS1PTGS2TBXA2RMAPT
SCHEMBL8942431 0.78 SMN1; SMN2 (0.54) HPGDPTGS1PTGS2TBXA2RMAPT
SCHEMBL8942209 0.77 MAPT (0.53) HPGDPTGS1PTGS2TBXA2RMAPT
SCHEMBL9574619 0.76 SMN1; SMN2 (0.60) HPGDPTGS1PTGS2PIN1TBXA2R

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