SCHEMBL17431889

SCHEMBL17431889

FC(F)(F)c1ccc(CN2C=CC(c3ccncc3)=CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HIF1A Q16665 3/20 0.39
▸ EPAS1 Q99814 3/20 0.39
▸ RIPK3 Q9Y572 1/20 0.38
▸ PRKCI P41743 1/20 0.37
▸ RORC P51449 3/20 0.37
▸ SRPK1 Q96SB4 2/20 0.36
▸ CHKA P35790 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP4 P49662 1/20 0.35
▸ CASP5 P51878 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ LSS P48449 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TAAR1 Q96RJ0 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ PPARG P37231 1/20 0.33

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
SCHEMBL9097301 0.83 P2RX7 (0.41) KDM4ECYP3A4LSSPOLBMAPT
Hydrochloric Acid SCHEMBL28357122 0.82 P2RX7 (0.40) KDM4ECYP3A4LSSPOLBMAPT
Bromide SCHEMBL29152398 0.82 P2RX7 (0.40) KDM4ECYP3A4LSSPOLBMAPT
SCHEMBL28540899 0.81 CYP11B1 (0.48) RIPK3CYP3A4
Hydrochloric Acid SCHEMBL31722817 0.81 CYP11B1 (0.35) ALDH1A1CYP3A4LSS
Hydrochloric Acid SCHEMBL32691838 0.79 RHEB (0.42) KDM4EALDH1A1HIF1ALSSPOLB
SCHEMBL29229728 0.74 GAA (0.34) CYP3A4MAPT
SCHEMBL27827661 0.72 SIGMAR1 (0.38) KDM4EALDH1A1MAPT
Bromide SCHEMBL28711468 0.71 SIGMAR1 (0.37) KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL27500541 0.71 SIGMAR1 (0.37) KDM4EALDH1A1

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
WO-2016006204-A1 ELECTROCHROMIC COMPOSITION AND ELECTROCHROMIC ELEMENT CANON KABUSHIKI KAISHA (JP) 2016-01-14 — — WO disclosed
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