SCHEMBL2858653

SCHEMBL2858653

Nc1cccc(S(=O)(=O)NCCc2cccc(Cl)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.75
AKR1C3 P42330 5/20 0.67
CYP19A1 P11511 1/20 0.59
TBXA2R P21731 2/20 0.53
ALDH1A1 P00352 1/20 0.52
TP53 P04637 1/20 0.51
CCR2 P41597 3/20 0.50

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
SCHEMBL1937574 0.86 PRMT1 (1.00) PRMT1AKR1C3CYP19A1ALDH1A1
SCHEMBL1287386 0.83 AKR1C3 (0.70) PRMT1AKR1C3ALDH1A1TP53
SCHEMBL2850435 0.83 PRMT1 (0.83) PRMT1AKR1C3CYP19A1ALDH1A1
SCHEMBL4672142 0.83 AKR1C3 (0.70) PRMT1AKR1C3TBXA2RALDH1A1
SCHEMBL2858650 0.82 AKR1C3 (0.80) PRMT1AKR1C3TBXA2RALDH1A1
SCHEMBL31174173 0.81 PRMT1 (0.73) PRMT1CYP19A1ALDH1A1
SCHEMBL1565027 0.81 PRMT1 (0.73) PRMT1CYP19A1ALDH1A1
SCHEMBL25699504 0.81 PRMT1 (0.70) PRMT1AKR1C3CYP19A1ALDH1A1
SCHEMBL30822635 0.80 ALDH1A1 (0.66) PRMT1AKR1C3CYP19A1TBXA2RALDH1A1
SCHEMBL17974009 0.80 ALDH1A1 (0.66) PRMT1AKR1C3CYP19A1TBXA2RALDH1A1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed