SCHEMBL442163

SCHEMBL442163

CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
NPC1 O15118 2/20 0.65
RAB9A P51151 2/20 0.65
HSD17B10 Q99714 2/20 0.62
TP53 P04637 2/20 0.62
USP2 O75604 1/20 0.62
MAPK1 P28482 1/20 0.62
RECQL P46063 1/20 0.62
MAPT P10636 3/20 0.59
NR1H2 P55055 3/20 0.55
NR1H3 Q13133 3/20 0.55
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL1125003 0.86 TP53 (0.64) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL1124642 0.85 KMT2A (0.65) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL440043 0.85 KMT2A (0.68) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL438878 0.85 KMT2A (0.71) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL440812 0.84 KMT2A (0.70) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL1124699 0.82 NR1H2 (0.67) HSD17B10TP53USP2MAPK1RECQL
SCHEMBL10126200 0.82 KMT2A (0.68) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL440425 0.82 KMT2A (0.68) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL437697 0.82 KMT2A (0.68) KMT2ANPC1RAB9AHSD17B10TP53
SCHEMBL7069485 0.82 TP53 (0.59) KMT2ANPC1RAB9AHSD17B10TP53

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
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed