SCHEMBL25874803

SCHEMBL25874803

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HPGD P15428 4/20 0.41
KDM4E B2RXH2 4/20 0.41
LMNA P02545 4/20 0.41
GLA P06280 1/20 0.41
ADORA2A P29274 3/20 0.35
TP53 P04637 2/20 0.34
GAA P10253 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAD51 Q06609 2/20 0.33
ATR Q13535 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32

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
SCHEMBL25874368 0.93 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL14124470 0.83 MAPK1 (0.41) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL25874911 0.83 SLC22A12 (0.43) KDM4ELMNAADORA2ASMN1; SMN2TSHR
SCHEMBL25875043 0.82 ALDH1A1 (0.45) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25875145 0.81 CYP1A2 (0.42) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25878198 0.81 MAPK1 (0.46) ALDH1A1MAPTHPGDKDM4ELMNA
SCHEMBL25874501 0.79 MEN1 (0.30) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL25874524 0.77 SLC22A12 (0.43) ALDH1A1MEN1KMT2ALMNAADORA2A
SCHEMBL15458514 0.77 KDM4E (0.41) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL15458395 0.77 KDM4E (0.41) ALDH1A1MAPTMEN1KMT2AHPGD

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