SCHEMBL9702232

SCHEMBL9702232

Cn1ccnc1CC(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.50
NAMPT P43490 1/20 0.47
NPC1 O15118 7/20 0.44
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
HTR2A P28223 2/20 0.43

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
SCHEMBL10952972 0.84 KMT2A (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2POLB
SCHEMBL2137686 0.73 FDPS (0.49) NPC1ALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL16767954 0.73 FDPS (0.49) RAB9ANPC1ALDH1A1HTTPOLB
SCHEMBL1075052 0.72 FDPS (0.51) RAB9ANPC1ALDH1A1HTTPOLB
SCHEMBL4877813 0.72 FDPS (0.47) RAB9ANPC1ALDH1A1HTTPOLB
Hydrochloric Acid SCHEMBL9715312 0.72 FDPS (0.47) NPC1ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL28245953 0.71 FDPS (0.44) NAMPTNPC1ALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL8604193 0.70 FDPS (0.46) RAB9ANPC1ALDH1A1SMN1; SMN2HTT
SCHEMBL7569658 0.70 NAMPT (0.47) RAB9ANAMPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL7561381 0.70 NOS1 (0.67) RAB9ANAMPTNPC1ALDH1A1SMN1; SMN2

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
WO-1992012154-A1 IMIDAZOTRIAZINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-23 WO disclosed