SCHEMBL19618394

SCHEMBL19618394

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
PIK3CA P42336 2/20 0.47
MAPK1 P28482 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
PIK3CD O00329 1/20 0.45
PI4KA P42356 1/20 0.45
PIK3CG P48736 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
MEN1 O00255 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
TOP1 P11387 6/20 0.43

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
SCHEMBL19618349 0.99 DHODH (0.51) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618352 0.99 DHODH (0.51) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618368 0.96 DHODH (0.51) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618290 0.92 SIRT2 (0.45) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618351 0.91 DHODH (0.55) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618360 0.91 DHODH (0.55) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618381 0.89 DHODH (0.45) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618479 0.85 DHODH (0.44) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618507 0.85 DHODH (0.44) DHODHPIK3CAMAPK1TSHRHSD17B10
SCHEMBL19618464 0.85 ALDH1A1 (0.61) DHODHPIK3CAMAPK1ALDH1A1LMNA

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