SCHEMBL13203239

SCHEMBL13203239

c1ccc(-c2ccccc2-c2cccc(-c3ccncc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.62
PRKCI P41743 1/20 0.53
PIK3CA P42336 1/20 0.53
IMPDH2 P12268 1/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KIF11 P52732 1/20 0.48
TNF P01375 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
LMNA P02545 1/20 0.46
AURKA O14965 1/20 0.46
CDK1 P06493 1/20 0.46
LYN P07948 1/20 0.46
PIM1 P11309 1/20 0.46
FGFR1 P11362 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46

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
SCHEMBL9974955 0.90 NOTUM (0.60) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL8383567 0.89 NOTUM (0.79) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL18134301 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL18134275 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL17189944 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL24492829 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL18134276 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL18650164 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL22428538 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT
SCHEMBL14425487 0.87 NOTUM (0.75) NOTUMPRKCIPIK3CAIMPDH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2592905-B1 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEM CORP (JP) 2014-11-12 EP disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed
US-7777043-B2 Compound, charge transporting material and organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2010-08-17 US disclosed