SCHEMBL10337745

SCHEMBL10337745

CS(=O)(=O)Nc1ccc(C#N)cc1Oc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.61
PTGS2 P35354 5/20 0.61
ADORA3 P0DMS8 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MEN1 O00255 1/20 0.61
MLNR O43193 1/20 0.61
LMNA P02545 1/20 0.61
MMP1 P03956 1/20 0.61
MPO P05164 1/20 0.61
CYP1A2 P05177 1/20 0.61
GLA P06280 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPT P10636 1/20 0.61
CYP19A1 P11511 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
APEX1 P27695 1/20 0.61

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
SCHEMBL31090850 0.92 PTGS1 (0.54) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL13524349 0.81 PTGS1 (0.65) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL14701620 0.80 PTGS1 (0.64) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL8719438 0.79 PTGS2 (0.68) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL13659014 0.78 PTGS1 (0.61) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL12998566 0.78 PTGS1 (0.61) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL5801365 0.78 PGR (0.50) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL9657535 0.77 PTGS1 (0.60) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL14508943 0.77 SLC22A12 (0.43) PTGS1PTGS2ADORA3KDM4EMEN1
SCHEMBL30583076 0.77 PTGS1 (0.60) PTGS1PTGS2ADORA3KDM4EMEN1

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-2022260-A None JP disclosed
JP-H0222260-A SUBSTITUTED SULFONANILIDE TAISHO PHARMACEUT CO LTD 1990-01-25 JP disclosed