SCHEMBL19618544

SCHEMBL19618544

c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc(-c7ccccn7)cc6)c5c4)ccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.46
MAPK1 P28482 3/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
NPY5R Q15761 1/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 1/20 0.38
TOP1 P11387 1/20 0.38
ACACA Q13085 2/20 0.38

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
SCHEMBL19618547 0.94 DHODH (0.41) DHODHMAPK1TSHRHSD17B10KDM4E
SCHEMBL19618545 0.90 DHODH (0.41) DHODHMAPK1TSHRHSD17B10KDM4E
SCHEMBL17616347 0.87 L3MBTL1 (0.50) DHODHKDM4EL3MBTL1ATMNPY5R
SCHEMBL14065133 0.87 KDM4E (0.53) DHODHKDM4EL3MBTL1ATMNPY5R
SCHEMBL19618561 0.86 ALDH1A1 (0.42) MAPK1TSHRKDM4EL3MBTL1ATM
SCHEMBL19618560 0.86 ALDH1A1 (0.42) MAPK1TSHRKDM4EL3MBTL1ATM
SCHEMBL19618546 0.86 KDM4E (0.49) DHODHMAPK1KDM4EL3MBTL1ATM
SCHEMBL19618567 0.86 ALDH1A1 (0.42) DHODHMAPK1TSHRKDM4EL3MBTL1
SCHEMBL19618565 0.86 ALDH1A1 (0.42) DHODHMAPK1TSHRKDM4EL3MBTL1
SCHEMBL19618548 0.86 ACVR1 (0.48) MAPK1KDM4EL3MBTL1ATMALDH1A1

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