SCHEMBL19618368

SCHEMBL19618368

c1ccc(-c2cccc(-c3ccc4nc(-c5cccc(-c6ccccc6)c5)cc(-c5ccc(-c6ccccn6)cc5)c4c3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.51
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
MEN1 O00255 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
PIK3CA P42336 2/20 0.49
TOP1 P11387 6/20 0.49
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
ESR1 P03372 1/20 0.46
ESR2 Q92731 1/20 0.46
ACACA Q13085 2/20 0.45
ELANE P08246 1/20 0.44

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
SCHEMBL19618352 0.97 DHODH (0.51) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618349 0.97 DHODH (0.51) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618394 0.96 DHODH (0.49) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618360 0.96 DHODH (0.55) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618351 0.96 DHODH (0.55) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618290 0.88 SIRT2 (0.45) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618381 0.88 DHODH (0.45) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618296 0.88 DHODH (0.50) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618403 0.85 ALDH1A1 (0.51) DHODHMAPK1KDM4EALDH1A1LMNA
SCHEMBL19618402 0.85 ALDH1A1 (0.51) DHODHMAPK1KDM4EALDH1A1LMNA

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