SCHEMBL9665488

SCHEMBL9665488

Sc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.47
RAF1 P04049 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GPR55 Q9Y2T6 1/20 0.41
DCUN1D1 Q96GG9 2/20 0.40
GLA P06280 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTGES O14684 1/20 0.38
GUSB P08236 1/20 0.37
DPP4 P27487 1/20 0.37
IDO1 P14902 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL10600871 0.80 MAPK14 (0.59) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL15401233 0.77 MAPK14 (0.68) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL8114499 0.76 MAPK13 (0.76) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL381791 0.69 MAPK13 (0.67) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL30514842 0.69 MAPK13 (0.67) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL22507473 0.69 MAPK14 (0.76) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL10078946 0.69 MAPK13 (0.86) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL31429099 0.67 NPC1 (0.47) KDM4EALDH1A1NPC1RAB9AGPR55
SCHEMBL8105110 0.67 ALDH1A1 (0.50) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL1172425 0.66 KDM4E (0.60) MAPK13RAF1MAPK12MAPK11MAPK14

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
EP-0519996-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-12-30 EP disclosed
WO-1991013876-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1991-09-19 WO disclosed