SCHEMBL9056541

SCHEMBL9056541

COC(=O)c1cccc(Oc2cccc(CN(Cc3ccc([N+](=O)[O-])cc3)C(c3c[nH]cn3)C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.41
CETP P11597 1/20 0.40
SLC2A1 P11166 2/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PTGES O14684 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 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
SCHEMBL9051254 0.93 KDM4E (0.46) FFAR1CETPSLC2A1ALDH1A1KDM4E
SCHEMBL9052107 0.78 NR3C1 (0.39) FFAR1CETPALDH1A1KDM4E
SCHEMBL31504019 0.68 KDM4E (0.72) FFAR1ALDH1A1KDM4EMAPTMEN1
SCHEMBL7993232 0.65 MEN1 (0.63) FFAR1ALDH1A1KDM4EMAOBMAPT
SCHEMBL3635549 0.65 MAPT (0.61) FFAR1ALDH1A1KDM4EMAOAMAOB
SCHEMBL8642101 0.64 FFAR1 (0.45) FFAR1ALDH1A1KDM4EMAOAMAOB
SCHEMBL13240465 0.63 LOXL2 (0.55) ALDH1A1MAOAMAOBMAPTTP53
SCHEMBL12579455 0.63 MEN1 (0.56) FFAR1ALDH1A1KDM4EMAOAMAOB
SCHEMBL2191978 0.63 MAPT (0.49) ALDH1A1MAOAMAOBMAPTMEN1
SCHEMBL9081386 0.63 ALDH1A1 (0.61) FFAR1SLC2A1ALDH1A1

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-1996037204-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-11-28 WO disclosed