SCHEMBL8303713

SCHEMBL8303713

OCc1ccc(-c2cccc(OC(F)(F)F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.51
DYRK1A Q13627 10/20 0.49
CHRM5 P08912 2/20 0.47
TRPV3 Q8NET8 1/20 0.45
XDH P47989 1/20 0.44
FYN P06241 3/20 0.44
KCNH2 Q12809 1/20 0.43
SCN10A Q9Y5Y9 1/20 0.43

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
SCHEMBL1550145 0.83 CHRM5 (0.46) CHRM5TRPV3SCN10A
SCHEMBL3409448 0.80 DYRK1A (0.50) DYRK1ATRPV3XDHFYNKCNH2
SCHEMBL8350438 0.79 DYRK1A (0.52) DYRK1AXDHFYNKCNH2SCN10A
SCHEMBL4591309 0.79 MAOB (0.53) KCNH2
SCHEMBL21034957 0.79 KDM1A (0.47) PIM1CHRM5TRPV3FYN
SCHEMBL31356744 0.78 ALDH1A1 (0.48) DYRK1ACHRM5XDHFYNKCNH2
SCHEMBL5510433 0.78 ABL1 (0.54) PIM1DYRK1A
SCHEMBL8309977 0.77 LDHA (0.57) DYRK1AXDHFYN
SCHEMBL17954210 0.74 CYP4F2 (0.49) DYRK1AFYN
SCHEMBL31356676 0.74 FYN (0.47) DYRK1ATRPV3XDHFYNKCNH2

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-5872136-A Arylheteroaryl inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-02-16 US disclosed
EP-0891361-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036901-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed