SCHEMBL8190374

SCHEMBL8190374

CC(F)(F)c1ccc(CN)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 5/20 0.42
▸ LOX P28300 1/20 0.41
▸ PSIP1 O75475 1/20 0.37
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ MAOB P27338 2/20 0.34
▸ DAO P14920 2/20 0.34
▸ RRM2 P31350 1/20 0.33
▸ TKT P29401 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL29404783 0.84 LOXL2 (0.53) LOXL2LOXCA1CA2CA12
SCHEMBL619597 0.84 PSIP1 (0.39) LOXL2LOXPSIP1CA1CA2
SCHEMBL40545 0.84 LOXL2 (0.53) LOXL2LOXCA1CA2CA12
SCHEMBL12266677 0.82 KDM4E (0.41) CA2TRPV4MAOBDAOTKT
Hydrochloric Acid SCHEMBL3494124 0.82 LOXL2 (0.55) LOXL2LOXCA1CA2CA12
SCHEMBL1743280 0.81 TKT (0.39) CA1CA2CA12CA4CA6
SCHEMBL8927734 0.81 TRPV4 (0.35) TRPV4MAOBDAOTKTGPBAR1
SCHEMBL14552496 0.81 ESR1 (0.41) TRPV4MAOBDAOTKTGPBAR1
SCHEMBL27975333 0.81 TRPV4 (0.35) TRPV4MAOBDAOTKTGPBAR1
SCHEMBL21503619 0.81 KCNH2 (0.38) LOXL2MAPT

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-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 — — WO disclosed
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