SCHEMBL5603289

SCHEMBL5603289

CC1=Nc2c(cccc2C(F)(F)F)[N]1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.36
AXL P30530 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KIF11 P52732 1/20 0.33
NOTUM Q6P988 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MPL P40238 1/20 0.32
BACE1 P56817 1/20 0.32
P2RX7 Q99572 1/20 0.32
AR P10275 1/20 0.31
TRPA1 O75762 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
SCHEMBL21797507 0.75 ACHE (0.34) BACE1
SCHEMBL5603711 0.74 CYP2A6 (0.40) ALDH1A1TRPA1
SCHEMBL5840553 0.71 ALDH1A1 (0.34) AXLALDH1A1
SCHEMBL5600573 0.68 HSD11B1 (0.41) HSD11B1NOTUMMPL
SCHEMBL5603291 0.67 ELANE (0.31) L3MBTL1
SCHEMBL5603316 0.66 CYP1A2 (0.37) HSD11B1AXLALDH1A1L3MBTL1KIF11
SCHEMBL2534593 0.65 AXL (0.38) HSD11B1AXLPARP1ALDH1A1L3MBTL1
SCHEMBL5602573 0.65 ALDH1A1 (0.34) HSD11B1AXLPARP1ALDH1A1L3MBTL1
SCHEMBL4752463 0.65 AXL (0.34) HSD11B1AXLPARP1ALDH1A1L3MBTL1
SCHEMBL6630838 0.65 TAS2R14 (0.46) HSD11B1AXLPARP1ALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US claimed
US-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed