SCHEMBL9877951

SCHEMBL9877951

Cc1cc(-c2ccccc2)n2nc(C)c(C(=O)/N=C/N(C)C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
KDM4E B2RXH2 7/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 3/20 0.52
MAPK1 P28482 3/20 0.46
NTRK1 P04629 2/20 0.43
PIM1 P11309 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHEK1 O14757 1/20 0.39
CDK2 P24941 1/20 0.39
CSNK2A1 P68400 1/20 0.39
HSD17B10 Q99714 2/20 0.39
GLA P06280 1/20 0.39
STAT1 P42224 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL9877954 1.00 MAPT (0.53) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL9877172 0.83 NTRK1 (0.64) MAPTKDM4EALDH1A1NTRK1PIM1
SCHEMBL9877170 0.83 NTRK1 (0.64) MAPTKDM4EALDH1A1NTRK1PIM1
SCHEMBL9728729 0.76 NTRK1 (0.53) MAPTKDM4EALDH1A1NTRK1PIM1
SCHEMBL9878320 0.72 KDM4E (0.48) KDM4ENTRK1PIM1CHEK1CDK2
SCHEMBL9728647 0.72 KDM4E (0.48) KDM4ENTRK1PIM1CHEK1CDK2
SCHEMBL9877259 0.69 NTRK1 (0.43) MAPTMAPK1NTRK1PIM1NPC1
SCHEMBL9728952 0.69 KDM4E (1.00) MAPTKDM4EALDH1A1HPGDMAPK1
SCHEMBL28008033 0.66 MEN1 (0.49) MAPTKDM4EALDH1A1NPC1RAB9A
SCHEMBL9728973 0.65 CLK4 (0.61) KDM4EALDH1A1HPGDNTRK1PIM1

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-5059691-A Anxiolytic agents; hypotensive agents; nervous system disorders; cognition activators AMERICAN CYANAMID COMPANY (US) 1991-10-22 US claimed