SCHEMBL17574241

SCHEMBL17574241

N#Cc1c(C#N)c(-n2c3ccccc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-n3c4ccccc4c4ccccc43)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TSPO P30536 1/20 0.37
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HDAC4 P56524 1/20 0.34
STAT3 P40763 1/20 0.33
RAC2 P15153 1/20 0.33
RAC3 P60763 1/20 0.33
CDC42 P60953 1/20 0.33
RAC1 P63000 1/20 0.33
PDE9A O76083 1/20 0.33
PDE1C Q14123 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
HTR3A P46098 1/20 0.33

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
SCHEMBL17570302 0.96 KDM4E (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL17574240 0.93 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL31175698 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21765765 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL31168869 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL23979224 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21840840 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21884024 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL21884031 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1
SCHEMBL23263992 0.91 TSPO (0.40) KDM4EATML3MBTL1TSPOALDH1A1

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
US-10002685-B2 Charge-transporting thin film Konica Minolta, Inc. (JP) 2018-06-19 US disclosed
US-9991453-B2 Electronic device, organic electroluminescent element, organic thin-film solar cell, and dye-sensitized solar cell Konica Minolta, Inc. (JP) 2018-06-05 US disclosed
US-20160071625-A1 CHARGE-TRANSPORTING THIN FILM UDC IRELAND LIMITED (IE) 2016-03-10 US disclosed