SCHEMBL19618558

SCHEMBL19618558

c1ccc(-n2c3ccccc3c3cc(-c4ccc5nc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc(-c6ccc(-c7nc8ccccc8o7)nc6)c5c4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 5/20 0.39
RAB9A P51151 5/20 0.39
KDM4E B2RXH2 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
HSD17B10 Q99714 3/20 0.39
USP2 O75604 2/20 0.39
HCRTR1 O43613 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP3 P42574 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
PTGES O14684 1/20 0.38
TP53 P04637 4/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19618556 0.90 NPC1 (0.42) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19618559 0.88 TP53 (0.45) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19618543 0.84 PTGES (0.42) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19618500 0.84 NPC1 (0.38) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19618555 0.83 PIK3CA (0.41) KDM4EPTGESHDAC6METPTGER4
SCHEMBL19618545 0.83 DHODH (0.41) KDM4EHSD17B10TSHRMAPK1PTGES
SCHEMBL19618395 0.83 ALDH1A1 (0.45) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19618550 0.83 ACVR1 (0.42) KDM4EPTGESPTGER4ATML3MBTL1
SCHEMBL19618354 0.83 HDAC6 (0.47) NPC1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL19618389 0.83 HDAC6 (0.47) NPC1ALDH1A1HPGDRAB9AKDM4E

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