SCHEMBL9877149

SCHEMBL9877149

CN(C)CCNc1ccc(-c2nn(C)c3ncccc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.53
KAT2B Q92831 5/20 0.50
HPGD P15428 1/20 0.45
CYP2C19 P33261 1/20 0.41
GRM5 P41594 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36
ALPG P10696 1/20 0.36
TLR9 Q9NR96 1/20 0.36
HTR6 P50406 1/20 0.36

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
Maleic Acid SCHEMBL9232273 0.91 NAMPT (0.52) NAMPTKAT2BHPGDCYP2C19KDM4E
Fumaric Acid SCHEMBL9232280 0.91 NAMPT (0.52) NAMPTKAT2BHPGDCYP2C19KDM4E
SCHEMBL9876892 0.82 KAT2B (0.42) KAT2BHPGDCYP2C19SCN9AKDM4E
SCHEMBL9236247 0.82 KAT2B (0.44) NAMPTKAT2BHPGDKDM4ESMN1; SMN2
SCHEMBL9877191 0.79 ADORA3 (0.41) NAMPTKAT2BCYP2C19
SCHEMBL9876982 0.78 GAA (0.48) NAMPTKAT2BHPGDKDM4ESMN1; SMN2
SCHEMBL9236866 0.77 CYP2C19 (0.43) KAT2BCYP2C19SCN9AKDM4ESMN1; SMN2
SCHEMBL9235819 0.76 KDM4E (0.47) SCN9AKDM4E
SCHEMBL9876833 0.74 NAMPT (0.54) NAMPTHPGDGRM5SMN1; SMN2
Fumaric Acid SCHEMBL9236129 0.73 ADORA3 (0.42) NAMPTKAT2BHPGD

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-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed