SCHEMBL21500261

SCHEMBL21500261

COC(=N)C(=N)Nc1cccc(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.46
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ ULK1 O75385 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LCK P06239 2/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ UBE2M P61081 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.37
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL12144664 0.74 EPHX2 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL1847415 0.74 EPHX2 (0.58) EPHX2CA12CA1CA2CA9
SCHEMBL440957 0.72 LMNA (0.59) EPHX2CA12CA1CA2CA9
SCHEMBL20560615 0.71 EPHX2 (0.56) EPHX2CA12CA1CA2CA9
SCHEMBL30499689 0.71 CA12 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL2755849 0.71 CA12 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL20560640 0.71 EPHX2 (0.49) EPHX2CA12CA1CA2CA9
SCHEMBL11404399 0.71 EPHX2 (0.48) EPHX2CA12CA1CA2CA9
SCHEMBL3872255 0.71 EPHX2 (0.46) EPHX2CA12CA1CA2CA9
SCHEMBL31646292 0.71 EPHX2 (0.46) EPHX2CA12CA1CA2CA9

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-2019204816-A1 IMIDAZOPYRIDINES USEFUL AS MITOCHONDRIAL UNCOUPLERS VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2019-10-24 — — WO disclosed
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