SCHEMBL9607467

SCHEMBL9607467

O=Cc1ccc(-c2ccc(C(F)(F)F)nc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
TRPV3 Q8NET8 12/20 0.41
CYP11B1 P15538 1/20 0.41
KCNH2 Q12809 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL336320 0.88 TRPV4 (0.52) TRPV4KCNH2ALDH1A1POLBL3MBTL1
SCHEMBL29417132 0.88 TRPV4 (0.52) TRPV4KCNH2ALDH1A1POLBL3MBTL1
SCHEMBL18003021 0.85 KIF11 (0.47) TRPV4TRPV3KCNH2
SCHEMBL2271123 0.82 KDM1A (0.49) CYP11B1ALDH1A1POLBL3MBTL1
SCHEMBL28682644 0.79 CYP11B1 (0.56) CYP11B1ALDH1A1L3MBTL1
SCHEMBL30747787 0.79 CYP11B1 (0.56) CYP11B1ALDH1A1L3MBTL1
SCHEMBL10325176 0.78 CYP11B1 (0.43) CYP11B1ALDH1A1L3MBTL1
SCHEMBL19807802 0.77 PIK3CA (0.43) TRPV3KCNH2
SCHEMBL25212518 0.77 TRPV4 (0.44) DGAT1TRPV4TRPV3KCNH2
SCHEMBL4425760 0.76 ALDH1A1 (0.54) CYP11B1KCNH2ALDH1A1L3MBTL1

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-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed