SCHEMBL25874368

SCHEMBL25874368

CC(C)(C)c1nc2ccccc2n1-c1cccc(-c2ccccc2-c2nc(-c3ccccc3)nc(-c3cccc(-c4ccc(N)cc4)c3)n2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
GAA P10253 2/20 0.35
ATM Q13315 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 2/20 0.34
RAD51 Q06609 2/20 0.34
PDE10A Q9Y233 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL25874803 0.93 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL25875043 0.90 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL25875145 0.88 CYP1A2 (0.42) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL25874524 0.84 SLC22A12 (0.43) ALDH1A1MEN1KMT2ALMNAHSD17B10
SCHEMBL25874359 0.82 SLC22A12 (0.42) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL14124470 0.82 MAPK1 (0.41) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL25878198 0.82 MAPK1 (0.46) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL25874501 0.82 MEN1 (0.30) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL25874597 0.79 HDAC1 (0.42) MEN1KMT2AKDM4EGAATP53
SCHEMBL25875032 0.79 ESR1 (0.49) ALDH1A1MEN1KMT2AHPGDMAPT

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-2023140649-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-27 WO disclosed