SCHEMBL27754792

SCHEMBL27754792

O=C(Nc1ccc(-c2cc[c]cc2)cc1)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.66
ROCK1 Q13464 1/20 0.66
LMNA P02545 3/20 0.63
HIF1A Q16665 1/20 0.63
RAB9A P51151 8/20 0.60
NPC1 O15118 6/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
TP53 P04637 1/20 0.60
KMT2A Q03164 3/20 0.59
CYP3A4 P08684 2/20 0.59
MEN1 O00255 2/20 0.58
MAPT P10636 1/20 0.58
GFER P55789 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
NAMPT P43490 2/20 0.57
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL3193488 0.91 ROCK2 (0.73) ROCK2ROCK1LMNAHIF1ARAB9A
SCHEMBL6804880 0.82 PTPN1 (0.79) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL5384036 0.80 ROCK2 (0.76) ROCK2ROCK1LMNAHIF1ARAB9A
Nicotinanilide SCHEMBL29067673 0.80 LMNA (0.83) ROCK2ROCK1LMNAHIF1ARAB9A
Nicotinanilide SCHEMBL352439 0.80 LMNA (0.83) ROCK2ROCK1LMNAHIF1ARAB9A
SCHEMBL14880208 0.80 ROCK2 (1.00) ROCK2ROCK1LMNAHIF1ARAB9A
SCHEMBL10131874 0.79 ROCK2 (0.73) ROCK2ROCK1LMNAHIF1ARAB9A
SCHEMBL7329481 0.79 ROCK2 (0.73) ROCK2ROCK1LMNAHIF1ARAB9A
SCHEMBL13363308 0.79 ROCK2 (0.73) ROCK2ROCK1LMNAHIF1ARAB9A
SCHEMBL29362556 0.79 ROCK2 (0.73) ROCK2ROCK1LMNAHIF1ARAB9A

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
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed