SCHEMBL19618545

SCHEMBL19618545

c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc(-c7ccccn7)nc6)c5c4)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
PTGES O14684 1/20 0.39
NPY5R Q15761 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER4 P35408 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
METAP1 P53582 5/20 0.36
ALOX5AP P20292 1/20 0.35
HPGDS O60760 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
CYP2C9 P11712 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35

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
SCHEMBL19618544 0.90 DHODH (0.46) DHODHPTGESNPY5RKDM4EATM
SCHEMBL19618549 0.89 KDM4E (0.44) DHODHPTGESKDM4EATML3MBTL1
SCHEMBL19618543 0.89 PTGES (0.42) DHODHPTGESKDM4EATML3MBTL1
SCHEMBL19618547 0.88 DHODH (0.41) DHODHPTGESNPY5RKDM4EATM
SCHEMBL19618557 0.88 MTOR (0.38) PTGESKDM4EATML3MBTL1PTGER4
SCHEMBL19618550 0.87 ACVR1 (0.42) PTGESKDM4EATML3MBTL1PTGER4
SCHEMBL19618529 0.87 DHODH (0.43) DHODHPTGESPTGER4RXFP1CYP2C9
SCHEMBL19618524 0.86 PTGES (0.37) DHODHPTGESKDM4EATML3MBTL1
SCHEMBL19618555 0.86 PIK3CA (0.41) PTGESKDM4EATML3MBTL1PTGER4
SCHEMBL19618558 0.83 NPC1 (0.39) PTGESKDM4EATML3MBTL1PTGER4

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
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed
US-9825242-B2 Compound for organic optoelectric device, organic light-emitting diode including same, display device including organic light-emitting diode CHEIL INDUSTRIES, INC. (KR) 2017-11-21 US disclosed