SCHEMBL13812737

SCHEMBL13812737

COc1ccccc1CCOc1cccc(NC(=O)c2cccc(Cl)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ GRM5 P41594 1/20 0.63
▸ MAPT P10636 3/20 0.58
▸ TP53 P04637 1/20 0.58
▸ THRB P10828 1/20 0.56
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KCNK3 O14649 2/20 0.53
▸ KCNK9 Q9NPC2 2/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ NLRP3 Q96P20 1/20 0.52
▸ MAOB P27338 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.50

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
SCHEMBL13812763 0.87 GRM5 (0.53) RAB9ANPC1GRM5MAPTTP53
SCHEMBL13812801 0.84 GRM5 (0.48) RAB9ANPC1GRM5MAPTTP53
SCHEMBL13812946 0.83 FADS1 (0.54) RAB9ANPC1GRM5MAPTMEN1
SCHEMBL13812800 0.82 KDM4E (0.50) RAB9ANPC1GRM5MAPTTP53
SCHEMBL13812742 0.82 KCNK3 (0.56) RAB9ANPC1MAPTTP53THRB
SCHEMBL13812798 0.81 G6PD (0.48) RAB9AGRM5MAPTMEN1KMT2A
SCHEMBL13812765 0.81 KCNK3 (0.55) RAB9ANPC1MAPTTP53THRB
SCHEMBL4250684 0.81 NPC1 (1.00) RAB9ANPC1GRM5MAPTTP53
SCHEMBL13812950 0.80 RAB9A (0.58) RAB9ANPC1MAPTTP53KMT2A
SCHEMBL13812931 0.80 ALDH1A1 (0.49) GRM5MAPTMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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