SCHEMBL20032701

SCHEMBL20032701

Cc1ccccc1-c1cnc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
MAPK10 P53779 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
NPC1 O15118 3/20 0.43
RAB9A P51151 2/20 0.43
KDR P35968 2/20 0.43
PDGFRB P09619 1/20 0.43
FLT3 P36888 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SDHB P21912 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PDE10A Q9Y233 6/20 0.39
PDE2A O00408 4/20 0.39
MET P08581 2/20 0.39
CYP1A2 P05177 1/20 0.39
CBFB Q13951 1/20 0.39

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
SCHEMBL20032698 0.94 MEN1 (0.48) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL20033422 0.84 PDE10A (0.53) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL20032700 0.80 NPC1 (0.55) ALDH1A1MAPTNPC1RAB9AKDR
SCHEMBL9453979 0.78 ALDH1A1 (0.66) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL16670864 0.78 PDE10A (0.53) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL16666222 0.77 ALOX5AP (0.47) MEN1ALDH1A1MAPTALOX12MAPK10
Hydrochloric Acid SCHEMBL28048607 0.77 ALDH1A1 (0.64) MEN1ALDH1A1MAPTALOX12MAPK10
SCHEMBL28599493 0.76 KDM4E (0.50) MEN1KMT2AKDM4EPDE10APDE2A
SCHEMBL29639036 0.76 KDM4E (0.50) MEN1KMT2AKDM4EPDE10APDE2A
SCHEMBL20032699 0.74 TLR9 (0.60) ALDH1A1MAPTNPC1RAB9AKDR

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-9936700-B2 Substituted quinoxaline derivatives as pest control agent BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-04-10 US disclosed