SCHEMBL23176227

SCHEMBL23176227

C/C=C/C(F)(F)c1cc(-n2ccc(C)n2)cnn1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TDO2 P48775 1/20 0.31

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
SCHEMBL15837150 0.84 MAPT (0.39) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL23176129 0.81 MAPT (0.35) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL15832231 0.72 RAB9A (0.41) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL15935015 0.70 HTT (0.39) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL19132895 0.69 MAPT (0.36) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL15935021 0.68 GABRA1 (0.41) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL15825233 0.67 NPC1 (0.32) MAPTRAB9AHTTNPC1
SCHEMBL15935400 0.67 RAB9A (0.39) MAPTRAB9AKDM4EALDH1A1GAA
SCHEMBL17356160 0.67 CASR (0.38) MAPTRAB9AKDM4ENPC1
SCHEMBL15832224 0.67 RXRA (0.37) MAPTRAB9AKDM4ENPC1

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
EP-2934538-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2021-03-31 EP disclosed