SCHEMBL19618540

SCHEMBL19618540

c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc(-c7cccnc7)cc6)c5c4)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.47
PIK3CA P42336 2/20 0.45
CYP19A1 P11511 2/20 0.41
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP11B1 P15538 3/20 0.40
MCL1 Q07820 2/20 0.39
RAF1 P04049 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2C9 P11712 2/20 0.39
CYP11B2 P19099 2/20 0.39

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
SCHEMBL19618537 0.95 DHODH (0.43) DHODHPIK3CACYP19A1MAPK1LMNA
SCHEMBL19618529 0.90 DHODH (0.43) DHODHPIK3CACYP19A1MAPTALDH1A1
SCHEMBL19618546 0.89 KDM4E (0.49) DHODHPIK3CAMAPK1LMNAMAPT
SCHEMBL19618565 0.87 ALDH1A1 (0.42) DHODHPIK3CAMAPK1LMNAMAPT
SCHEMBL19618567 0.87 ALDH1A1 (0.42) DHODHPIK3CAMAPK1LMNAMAPT
SCHEMBL19762218 0.86 KDM4E (0.49) DHODHCYP19A1MAPK1LMNAMAPT
SCHEMBL18790308 0.86 KDM4E (0.49) DHODHCYP19A1MAPK1LMNAMAPT
SCHEMBL23057379 0.86 L3MBTL1 (0.51) DHODHPIK3CACYP19A1MAPK1LMNA
SCHEMBL19618551 0.86 MAPT (0.46) DHODHPIK3CAMAPK1LMNAMAPT
SCHEMBL17853514 0.86 DHODH (0.46) DHODHCYP19A1MAPK1LMNAMAPT

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