SCHEMBL2852808

SCHEMBL2852808

CC(O)CNS(=O)(=O)c1cccc(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.57
PRMT1 Q99873 1/20 0.54
POLB P06746 1/20 0.53
F2 P00734 3/20 0.50
PRSS1 P07477 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
PKM P14618 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 2/20 0.48
LMNA P02545 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA4 P22748 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 3/20 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
SCHEMBL5032592 0.88 CYP19A1 (0.60) CYP19A1PRMT1POLBF2PRSS1
SCHEMBL2861011 0.84 CYP19A1 (0.56) CYP19A1PRMT1POLBF2PRSS1
SCHEMBL2852807 0.81 BRAF (0.48) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL6789998 0.81 CA1 (0.57) ALDH1A1TSHRTDP1CA2CA12
SCHEMBL6789995 0.81 CA1 (0.57) ALDH1A1TSHRTDP1CA2CA12
SCHEMBL174302 0.80 GBA1 (0.57) PKMALDH1A1CA2LMNACA1
SCHEMBL13508355 0.80 GBA1 (0.57) PKMALDH1A1CA2LMNACA1
SCHEMBL8762748 0.80 CYP19A1 (0.62) CYP19A1PRMT1POLBF2PRSS1
SCHEMBL922755 0.79 CYP19A1 (0.66) CYP19A1PRMT1POLBF2PRSS1
SCHEMBL1565027 0.79 PRMT1 (0.73) CYP19A1PRMT1POLBF2PRSS1

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