SCHEMBL30358397

SCHEMBL30358397

Fc1ccc2oc(CC(F)(F)F)nc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.42
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
MPO P05164 1/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39
MGLL Q99685 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DAGLA Q9Y4D2 1/20 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
SCHEMBL30358396 0.87 MAPT (0.44) PIK3CDPIK3CBMAPTNPC1RAB9A
SCHEMBL11325989 0.82 PIK3CD (0.51) GRK6PIK3CDPIK3CBMPOMAPT
SCHEMBL30358387 0.82 MEN1 (0.57) GRK6MAPTNPC1RAB9AKDM4E
SCHEMBL28318334 0.82 KDM4E (0.50) GRK6PIK3CBMAPTNPC1RAB9A
SCHEMBL30358394 0.82 KDM4E (0.50) GRK6PIK3CBMAPTNPC1RAB9A
SCHEMBL30358390 0.82 GRK6 (0.41) GRK6MAPTNPC1RAB9AKDM4E
SCHEMBL30358398 0.80 NPC1 (0.46) GRK6MAPTNPC1RAB9AKDM4E
SCHEMBL28876443 0.80 NPC1 (0.46) GRK6MAPTNPC1RAB9AKDM4E
SCHEMBL30358386 0.80 GRK6 (0.39) GRK6MAPTNPC1RAB9AKDM4E
SCHEMBL24338807 0.79 PIK3CD (0.43) GRK6PIK3CDPIK3CBMPOMAPT

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-110105300-B Method for synthesizing 2-trifluoroethyl substituted benzoxazole compound 福州大学 2023-04-14 CN disclosed