SCHEMBL436627

SCHEMBL436627

CCOC(=O)c1cnc2c(OC)cccc2c1N

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
KDM4E B2RXH2 3/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
GLA P06280 1/20 0.61
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL19021085 0.87 MEN1 (0.69) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL4721440 0.86 MEN1 (0.68) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL31681091 0.86 MEN1 (0.68) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL438878 0.86 KMT2A (0.71) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL774503 0.85 MEN1 (0.67) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL440812 0.85 KMT2A (0.70) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL440425 0.84 KMT2A (0.68) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL10126200 0.84 KMT2A (0.68) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL437697 0.84 KMT2A (0.68) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL440043 0.84 KMT2A (0.68) KMT2AMEN1NPC1RAB9AKDM4E

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