SCHEMBL19687624

SCHEMBL19687624

Cc1ccc2c(c1)cc(C#N)n2CC(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
PAX8 Q06710 1/20 0.37
CNR1 P21554 2/20 0.36
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16090778 0.79 KMT2A (0.41) KMT2ACNR1LMNARXFP1KDM4E
SCHEMBL19687583 0.77 MEN1 (0.43) KMT2AMEN1HSD17B10LMNATP53
SCHEMBL16090777 0.77 KDM4E (0.39) KMT2AMEN1LMNATP53RXFP1
SCHEMBL16090775 0.73 PARG (0.37)
SCHEMBL806475 0.71 RXFP1 (0.49) KMT2AMEN1LMNATP53RXFP1
SCHEMBL29769066 0.71 RXFP1 (0.49) KMT2AMEN1LMNATP53RXFP1
SCHEMBL16031735 0.68 NR1H2 (0.43)
SCHEMBL3005494 0.67 PTGDR2 (0.47) KMT2AMEN1KDM4EALDH1A1GAA
SCHEMBL21084047 0.67 KMO (0.49) KMT2AMEN1HSD17B10LMNARAB9A
SCHEMBL21196908 0.67 SCN7A (0.55) HSD17B10KDM4EALDH1A1HPGDPLA2G10

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-2017205972-A1 SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER GENOMEDX BIOSCIENCES, INC. (CA) 2017-12-07 WO disclosed