SCHEMBL438415

SCHEMBL438415

CCOC(=O)c1cnc2c(F)cc(F)cc2c1N

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
HSP90AA1 P07900 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
CSNK1D P48730 2/20 0.43
MAPT P10636 2/20 0.43
DPP4 P27487 2/20 0.43
TSHR P16473 1/20 0.42
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
GAA P10253 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL6200613 0.86 KMT2A (0.45) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL6083583 0.85 KMT2A (0.55) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL440043 0.82 KMT2A (0.68) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL26167924 0.80 KMT2A (0.56) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL440533 0.80 KMT2A (0.65) KMT2ANPC1RAB9AHSP90AA1KDM4E
SCHEMBL438266 0.80 KMT2A (0.47) KMT2ANPC1RAB9AHSP90AA1KDM4E
SCHEMBL439008 0.80 NMT2 (0.60) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL438931 0.79 HAVCR2 (0.49) KMT2AKDM4EALDH1A1
SCHEMBL439457 0.79 NPC1 (0.57) KMT2ANPC1RAB9AHSP90AA1KDM4E
SCHEMBL436657 0.77 KDM4E (0.59) KMT2ANPC1RAB9AHSP90AA1KDM4E

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