SCHEMBL439008

SCHEMBL439008

CCOC(=O)c1cnc2ccc(F)cc2c1N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 2/20 0.60
NMT1 P30419 2/20 0.60
MAPT P10636 5/20 0.57
NPSR1 Q6W5P4 2/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
MAPK1 P28482 2/20 0.49
TP53 P04637 2/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL437074 0.90 KMT2A (0.55) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL438198 0.87 MAPK1 (0.63) NMT1MAPTNPSR1KDM4EGAA
SCHEMBL538115 0.86 NMT1 (0.61) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL437947 0.86 KMT2A (0.53) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL538191 0.85 NMT2 (0.60) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL439271 0.85 MAPK1 (0.65) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL441687 0.85 KMT2A (0.62) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL437781 0.85 MAPT (0.61) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL22395756 0.85 NMT2 (0.60) NMT2NMT1MAPTNPSR1KDM4E
SCHEMBL30900720 0.85 NMT2 (0.60) NMT2NMT1MAPTNPSR1KDM4E

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