SCHEMBL19687583

SCHEMBL19687583

Cc1ccc2c(cc(C#N)n2CC(N)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
AS3MT Q9HBK9 1/20 0.38
LMNA P02545 4/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
STAT3 P40763 1/20 0.37
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
PRF1 P14222 1/20 0.33
GLA P06280 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G2A P14555 2/20 0.32
HSD17B10 Q99714 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
SCHEMBL19687581 0.87 KDM4E (0.44) MEN1KMT2ALMNARAB9AMAPK1
SCHEMBL19687624 0.77 KMT2A (0.38) MEN1KMT2AAS3MTLMNARAB9A
SCHEMBL19687591 0.77 MEN1 (0.43) MEN1KMT2ARAB9ATSHRKDM4E
SCHEMBL19687598 0.75 RAB9A (0.35) LMNARAB9ATSHRKDM4EMAPT
SCHEMBL19687576 0.75 RAB9A (0.35) MEN1KMT2ALMNARAB9ATSHR
SCHEMBL19687594 0.72 ESR1 (0.40) MEN1KMT2ALMNARAB9APOLB
SCHEMBL19687577 0.72 MEN1 (0.46) MEN1KMT2ARAB9AMAPK1TSHR
SCHEMBL19687579 0.71 RAB9A (0.33) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL19687586 0.70 MEN1 (0.46) MEN1KMT2ALMNAMAPK1TSHR
SCHEMBL19687584 0.70 PARG (0.39) MEN1KMT2ARAB9A

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