SCHEMBL8185147

SCHEMBL8185147

COc1cc(C(C)(C)C)ccc1C(=O)Nc1ccc2c(c1)CCNC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 5/20 0.57
FLT3 P36888 2/20 0.57
CAMK2G Q13555 1/20 0.56
CAMK2D Q13557 1/20 0.56
MYLK Q15746 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
DHODH Q02127 3/20 0.56
NR1H4 Q96RI1 3/20 0.55
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ROCK2 O75116 2/20 0.51
F2 P00734 1/20 0.47
PLG P00747 1/20 0.47
PLAU P00749 1/20 0.47
PLAT P00750 1/20 0.47
KLKB1 P03952 1/20 0.47
PRSS1 P07477 1/20 0.47
PRKG1 Q13976 1/20 0.47

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
SCHEMBL8176062 0.80 DHODH (0.55) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL8185689 0.80 NR1H4 (0.46) DHODHNR1H4MEN1NPC1RAB9A
SCHEMBL8186700 0.79 NR1H4 (0.55) MELKFLT3CAMK2GCAMK2DMYLK
Hydrochloric Acid SCHEMBL7797660 0.79 NR1H4 (0.45) MELKFLT3CAMK2GCAMK2DMYLK
Hydrochloric Acid SCHEMBL1189801 0.78 TRPV1 (0.50) MELKNR1H4MEN1NPC1RAB9A
SCHEMBL14585871 0.77 APOB (0.56) MELKFLT3ROCK2
SCHEMBL11729866 0.77 ROCK2 (0.77) MELKMEN1NPC1RAB9AKMT2A
SCHEMBL6645872 0.76 MELK (0.48) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL8369053 0.76 NR1H4 (0.53) MELKFLT3DHODHNR1H4MEN1
Hydrochloric Acid SCHEMBL1187983 0.75 WEE1 (0.49) MELKMEN1NPC1RAB9AKMT2A

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
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed