SCHEMBL6958245

SCHEMBL6958245

N#Cc1cccc(C[O])c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HIF1A Q16665 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TSHR P16473 2/20 0.35
HSD11B1 P28845 2/20 0.35
MCL1 Q07820 1/20 0.35
CYP19A1 P11511 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
XDH P47989 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL11524213 0.83 GABRA1 (0.41) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL2096194 0.81 UPP1 (0.31) HSD11B1
SCHEMBL483553 0.80 CYP19A1 (0.46) CA1CA2SMN1; SMN2TSHRMCL1
SCHEMBL1125092 0.79 SMN1; SMN2 (0.37) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL28215006 0.79 S1PR1 (0.40) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL27756124 0.79 SMN1; SMN2 (0.37) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL23081364 0.79 ALDH1A1 (0.36) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL8655295 0.79 GABRA1 (0.43) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL31185609 0.79 GABRA1 (0.43) CA1CA2SMN1; SMN2HIF1AMAOA
SCHEMBL15018240 0.78 NOTUM (0.36) CA1CA2SMN1; SMN2TSHRMCL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed