SCHEMBL9307858

SCHEMBL9307858

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
PIN1 Q13526 2/20 0.49
TBXA2R P21731 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP19A1 P11511 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MLNR O43193 1/20 0.46
LMNA P02545 1/20 0.46
MMP1 P03956 1/20 0.46
MPO P05164 1/20 0.46
CYP1A2 P05177 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 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
SCHEMBL6281034 0.85 CYP19A1 (0.65) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL8942422 0.81 HPGD (0.45) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL11819011 0.78 HPGD (0.65) HPGDPIN1TBXA2RMEN1KMT2A
Butylamine SCHEMBL8942217 0.77 TBXA2R (0.45) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL8942530 0.75 KDM4E (0.47) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL8942212 0.75 TBXA2R (0.45) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL9233845 0.75 PTGS1 (0.40) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL9528388 0.73 HSPB1 (0.46) HPGDPTGS1PTGS2PIN1TBXA2R
SCHEMBL11186476 0.72 PTGS2 (0.55) HPGDPTGS1PTGS2TBXA2RMEN1
SCHEMBL8525177 0.72 PTGS1 (0.50) 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
JP-6072988-A None JP disclosed
JP-H0672988-A 5-AMINO-2-HALOPHENOXYSULFONANILIDE COMPOUND TAISHO PHARMACEUT CO LTD 1994-03-15 JP disclosed