SCHEMBL19554281

SCHEMBL19554281

COC(=O)c1cc(C#N)c(OC(F)F)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.51
LMNA P02545 1/20 0.45
GAA P10253 4/20 0.43
CFTR P13569 3/20 0.41
ALDH1A1 P00352 6/20 0.40
HPGD P15428 4/20 0.40
MAPT P10636 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL19554272 0.88 LMNA (0.55) KDM4ELMNAGAACFTRALDH1A1
SCHEMBL16410988 0.84 KDM4E (0.68) KDM4ELMNAGAACFTRALDH1A1
SCHEMBL31716930 0.80 KDM4E (0.76) KDM4EGAACFTRALDH1A1HPGD
SCHEMBL19554334 0.80 KDM4E (0.53) KDM4ELMNAGAAALDH1A1HPGD
SCHEMBL1567762 0.79 KDM4E (0.54) KDM4ELMNAGAACFTRALDH1A1
SCHEMBL16411016 0.79 KDM4E (0.50) KDM4ELMNAGAACFTRALDH1A1
SCHEMBL24761763 0.78 KDM4E (0.53) KDM4ELMNAGAACFTRALDH1A1
SCHEMBL19554322 0.78 KDM4E (0.48) KDM4ELMNAGAACFTRALDH1A1
SCHEMBL22073608 0.77 KDM4E (0.38) KDM4ELMNAGAAALDH1A1HPGD
SCHEMBL3618785 0.77 GAA (0.52) KDM4ELMNAGAACFTRALDH1A1

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed