SCHEMBL9736772

SCHEMBL9736772

CC1(C)CC=C(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 0.50
MAPK12 P53778 9/20 0.50
MAPK11 Q15759 9/20 0.50
MAPK14 Q16539 9/20 0.50
RAF1 P04049 5/20 0.50
MAPK9 P45984 1/20 0.50
SOAT1 P35610 1/20 0.48
NOX1 Q9Y5S8 1/20 0.46
GCGR P47871 3/20 0.46
MGAM O43451 1/20 0.45
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL9737022 0.82 MAPK14 (0.45) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9737184 0.75 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL9737259 0.73 MAPK14 (0.63) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL739928 0.73 MAPK13 (0.72) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL104130 0.71 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
Benzene SCHEMBL28852698 0.71 MAPK13 (0.82) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL3456136 0.69 MAPK13 (0.74) MAPK13MAPK12MAPK11MAPK14RAF1
Methane SCHEMBL3278320 0.69 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL5074753 0.69 MAPK13 (0.83) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27850480 0.69 MAPK13 (0.79) MAPK13MAPK12MAPK11MAPK14RAF1

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-1992005148-A1 IMIDAZOL DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATIONS RHONE-POULENC RORER LIMITED (GB) 1992-04-02 WO disclosed