SCHEMBL25459643

SCHEMBL25459643

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4nc(-c5ccc(-c6cccc7c6sc6c(-c8nc9ccccc9o8)cccc67)cc5)oc4c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.44
RAB9A P51151 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 5/20 0.43
MAPT P10636 5/20 0.43
USP2 O75604 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
TP53 P04637 3/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
STAT1 P42224 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL25459644 0.95 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25459429 0.94 NPC1 (0.44) NPC1RAB9AMEN1KMT2AATM
SCHEMBL21891140 0.92 ALDH1A1 (0.46) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25459696 0.90 VSIR (0.44) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL21891137 0.90 NPC1 (0.49) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25459432 0.89 TP53 (0.43) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9603915 0.88 NPC1 (0.52) NPC1RAB9AMEN1KMT2AATM
SCHEMBL21890960 0.88 ALDH1A1 (0.43) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25459712 0.87 KDM4E (0.46) NPC1RAB9AMEN1KMT2AATM
SCHEMBL25459650 0.87 GPR119 (0.41) NPC1RAB9AMEN1KMT2AATM

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