SCHEMBL9613015

SCHEMBL9613015

c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccncc5)c4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.51
NOTUM Q6P988 1/20 0.48
IMPDH2 P12268 2/20 0.47
PRKCI P41743 1/20 0.44
TNF P01375 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
KIF11 P52732 1/20 0.40
MAPK1 P28482 2/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 1/20 0.38

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
SCHEMBL10016743 0.94 NOTUM (0.48) PIK3CANOTUMIMPDH2PRKCITNF
SCHEMBL29595669 0.94 NOTUM (0.48) PIK3CANOTUMIMPDH2PRKCITNF
SCHEMBL25588241 0.90 MAOA (0.39) PIK3CANOTUMKDM4EALDH1A1MAPT
SCHEMBL21250832 0.89 NOTUM (0.50) PIK3CANOTUMIMPDH2PRKCITNF
SCHEMBL10017017 0.88 NOTUM (0.54) PIK3CANOTUMIMPDH2TNFMKNK1
SCHEMBL24662784 0.88 NOTUM (0.58) PIK3CANOTUMIMPDH2PRKCIMKNK1
SCHEMBL10017117 0.88 NOTUM (0.52) PIK3CANOTUMIMPDH2TNFKDM4E
SCHEMBL18810931 0.88 NOTUM (0.56) PIK3CANOTUMIMPDH2PRKCIMKNK1
SCHEMBL21250873 0.88 PIK3CA (0.49) PIK3CANOTUMIMPDH2PRKCITNF
SCHEMBL21250855 0.87 NOTUM (0.48) PIK3CANOTUMIMPDH2PRKCITNF

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-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed