SCHEMBL30358396

SCHEMBL30358396

Fc1ccc2nc(CC(F)(F)F)oc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
MAPK10 P53779 1/20 0.39
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA2 P47869 4/20 0.38
GABRB2 P47870 4/20 0.38
GABRA4 P48169 4/20 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
SCHEMBL30358397 0.87 GRK6 (0.42) MAPTKDM4EPIK3CDPIK3CBNPC1
SCHEMBL30358389 0.82 PIK3CG (0.51) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28319461 0.82 KDM4E (0.68) MAPTKDM4EPIK3CDPIK3CBNPC1
SCHEMBL16067280 0.79 MAPT (0.50) MAPTKDM4EPIK3CDPIK3CBNPC1
SCHEMBL5794092 0.79 MAPT (0.46) MAPTKDM4EPIK3CDPIK3CBNPC1
SCHEMBL19746823 0.79 MAPT (0.46) MAPTKDM4EPIK3CDPIK3CBNPC1
SCHEMBL28319423 0.77 NPC1 (0.63) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28318330 0.77 TTR (0.49) MAPTNPC1RAB9ASMN1; SMN2TP53
SCHEMBL30358381 0.77 MGLL (0.41) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL28318312 0.77 MGLL (0.41) MAPTKDM4ENPC1RAB9ASMN1; 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
CN-110105300-B Method for synthesizing 2-trifluoroethyl substituted benzoxazole compound 福州大学 2023-04-14 CN disclosed