SCHEMBL28192578

SCHEMBL28192578

[CH]1CC1(c1ccc2ncccc2c1)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNA7 P36544 1/20 0.40
DYRK1A Q13627 1/20 0.39
GSK3B P49841 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL28192575 0.94 NPC1 (0.44) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL2178165 0.71 ALDH1A1 (0.53) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL27452226 0.71 ALDH1A1 (0.53) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL844502 0.71 POLB (0.47) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL3471202 0.69 SLC6A2 (0.66) KCNH2
SCHEMBL834676 0.68 NPC1 (0.47) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL836451 0.68 ALDH1A1 (0.49) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL29940279 0.67 IDO1 (0.57) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL28286305 0.67 IDO1 (0.57) POLBNPC1RAB9AALDH1A1MAPT
SCHEMBL2037389 0.67 AKR1C3 (0.55) POLBNPC1RAB9AALDH1A1MAPT

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
CN-103288833-B Imidazo-triazine and imidazopyrimidine as kinase inhibitor 因塞特控股公司 2018-01-12 CN disclosed