SCHEMBL440533

SCHEMBL440533

CCOC(=O)c1cnc2c(F)c(F)ccc2c1N

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
NPC1 O15118 3/20 0.65
RAB9A P51151 3/20 0.65
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 6/20 0.44
HSD17B10 Q99714 1/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSP90AA1 P07900 1/20 0.43
HPGD P15428 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
CSNK1D P48730 1/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL537865 0.86 MAPT (0.49) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL440043 0.85 KMT2A (0.68) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL538007 0.85 KMT2A (0.65) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL26167964 0.83 KMT2A (0.56) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL439469 0.82 KMT2A (0.67) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL440159 0.82 MAPT (0.62) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL440812 0.81 KMT2A (0.70) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL438415 0.80 KMT2A (0.55) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL436629 0.80 KMT2A (0.65) KMT2ANPC1RAB9AMAPTMEN1
SCHEMBL436903 0.80 KMT2A (0.65) KMT2ANPC1RAB9AMAPTMEN1

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