SCHEMBL25864463

SCHEMBL25864463

N#Cc1cc(-c2cccc(-c3nc4ccccc4o3)c2)ccc1-c1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.44
NPC1 O15118 7/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
RAB9A P51151 5/20 0.42
ATM Q13315 1/20 0.42
HPSE Q9Y251 3/20 0.42
KDM4E B2RXH2 7/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
HSD17B10 Q99714 3/20 0.40
PKM P14618 1/20 0.39
DUSP1 P28562 1/20 0.39
NFKB1 P19838 2/20 0.38
STAT1 P42224 2/20 0.38
NFKB2 Q00653 2/20 0.38
RELA Q04206 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 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
SCHEMBL26268244 0.89 TP53 (0.42) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL26267814 0.86 HPSE (0.43) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL26268257 0.85 TP53 (0.46) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL25874709 0.85 TP53 (0.46) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL27293899 0.84 TP53 (0.47) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL25864797 0.84 TP53 (0.51) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL25874599 0.84 MEN1 (0.45) TP53NPC1MEN1KMT2ARAB9A
SCHEMBL25774929 0.84 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL26553184 0.84 ALDH1A1 (0.41) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL25864804 0.83 NPC1 (0.52) TP53NPC1MEN1KMT2ARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136586-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 WO disclosed