SCHEMBL31361807

SCHEMBL31361807

FC(F)Oc1cccc2c1c(I)nn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.36
CYP4F2 P78329 2/20 0.34
CYP4A11 Q02928 2/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
RET P07949 1/20 0.32
MAP3K5 Q99683 1/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL30540754 0.85 EGFR (0.37) ATRCYP4F2CYP4A11RET
SCHEMBL15568853 0.83 CYP4F2 (0.39) ATRCYP4F2CYP4A11RETMAP3K5
SCHEMBL31484933 0.83 CYP4F2 (0.39) ATRCYP4F2CYP4A11RETMAP3K5
SCHEMBL31190804 0.81 CYP4F2 (0.33) CYP4F2CYP4A11RET
SCHEMBL30540772 0.80 RET (0.34) ATRCYP4F2CYP4A11RET
SCHEMBL31190602 0.80 CYP4F2 (0.44) ATRCYP4F2CYP4A11
SCHEMBL31190796 0.79 P2RX7 (0.38) CYP4F2CYP4A11RETMAP3K5
SCHEMBL31190729 0.79 CYP4F2 (0.37) CYP4F2CYP4A11PIK3CDPIK3CAPIK3CB
SCHEMBL31190681 0.78 CYP4F2 (0.35) CYP4F2CYP4A11RETMAP3K5
SCHEMBL31484985 0.77 RET (0.35) CYP4F2CYP4A11RET

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-119183452-A LRRK2 inhibitors 布雷宁疗法公司 2024-12-24 CN disclosed