SCHEMBL25459644

SCHEMBL25459644

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4nc(-c5cccc(-c6cccc7c6sc6c(-c8nc9ccccc9o8)cccc67)c5)oc4c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 8/20 0.44
HPGD P15428 8/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
TP53 P04637 4/20 0.44
NFKB1 P19838 3/20 0.44
NFKB2 Q00653 3/20 0.44
RELA Q04206 3/20 0.44
GAA P10253 3/20 0.44
STAT1 P42224 2/20 0.44
LMNA P02545 1/20 0.44
GFER P55789 1/20 0.44
USP2 O75604 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HCRTR1 O43613 2/20 0.41
PTGS2 P35354 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL25459643 0.95 NPC1 (0.44) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL25459432 0.94 TP53 (0.43) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL25459696 0.94 VSIR (0.44) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL21890971 0.90 VSIR (0.44) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL21891140 0.89 ALDH1A1 (0.46) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL25459695 0.89 ALOX5 (0.46) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL25459429 0.89 NPC1 (0.44) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL25459713 0.88 MAPT (0.45) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL25459653 0.88 RAB9A (0.41) NPC1KDM4EALDH1A1HPGDRAB9A
SCHEMBL21890940 0.87 ALDH1A1 (0.45) NPC1KDM4EALDH1A1HPGDRAB9A

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-20230145469-A1 ORGANIC LIGHT EMITTING ELEMENT LG DISPLAY CO., LTD. (KR) 2023-05-11 US disclosed
US-20230145469-A1 ORGANIC LIGHT EMITTING ELEMENT LG DISPLAY CO., LTD. (KR) 2023-05-11 US disclosed