SCHEMBL1816284

SCHEMBL1816284

NC(=O)c1cc(F)c(CC2CC2)c(I)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 5/20 0.36
▸ PARP15 Q460N3 4/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36
▸ BTK Q06187 5/20 0.35
▸ BPTF Q12830 1/20 0.35
▸ OPRM1 P35372 2/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ STING1 Q86WV6 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ OPRK1 P41145 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ PARP1 P09874 1/20 0.31

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
SCHEMBL20897979 0.77 BTK (0.43) BTKCYP2C9GAAPARP1
SCHEMBL28292785 0.73 BTK (0.41) BTKCYP2C9GAAPARP1
SCHEMBL1710509 0.72 ROCK1 (0.34) BTKOPRM1OPRD1OPRK1
SCHEMBL20971823 0.70 GPR119 (0.52) —
SCHEMBL16042892 0.70 CA1 (0.47) BPTFHDAC6PARP1
SCHEMBL3783315 0.68 PARP1 (0.43) PARP10BPTFHDAC6PARP1
SCHEMBL1233573 0.68 HDAC1 (0.44) BPTFHDAC6PARP1
SCHEMBL5722433 0.67 L3MBTL1 (0.33) BTK
SCHEMBL811633 0.66 PARP1 (0.45) PARP10HDAC6PARP1
SCHEMBL27630458 0.66 ERN1 (0.39) PARP10BPTFHDAC6KCNH2PARP1

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-2498775-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES Almirall S.A. (ES) 2012-09-19 — — EP disclosed
WO-2011057757-A1 NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES ALMIRALL, S.A. (ES) 2011-05-19 — — WO disclosed
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