SCHEMBL2850433

SCHEMBL2850433

NC(=O)c1cccc(S(=O)(=O)NCCc2ccc(N)cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
AKR1C3 P42330 9/20 0.64
F10 P00742 1/20 0.63
PRSS1 P07477 1/20 0.63
PRSS2 P07478 1/20 0.63
PRSS3 P35030 1/20 0.63
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
PRMT1 Q99873 2/20 0.60
HTT P42858 1/20 0.57
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA12 O43570 1/20 0.56
CA6 P23280 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56

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
SCHEMBL5035260 0.86 AKR1C3 (0.63) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL2850435 0.84 PRMT1 (0.83) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL2858650 0.82 AKR1C3 (0.80) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL5034887 0.81 CYP2C19 (0.76) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL6804085 0.79 PRMT1 (0.88) KMT2ATDP1PRMT1HTTCA1
SCHEMBL2859691 0.77 CYP2C19 (0.55) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL7516260 0.77 AKR1C3 (0.76) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL2850555 0.76 LMNA (0.53) MAPK1KMT2ATDP1AKR1C3PRSS1
Hydrochloric Acid SCHEMBL7517991 0.76 F10 (0.98) MAPK1KMT2ATDP1AKR1C3F10
SCHEMBL17713153 0.76 CYP2C19 (0.53) MAPK1KMT2ATDP1AKR1C3F10

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