SCHEMBL25801357

SCHEMBL25801357

C1=CC(c2nc(-c3ccc(-c4ccccc4)cc3)nc(-c3ccc4c5ccccc5c5ccccc5c4c3)n2)CC=C1c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ATM Q13315 1/20 0.32
ACP1 P24666 3/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL25022892 0.89 ESR1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL25942957 0.87 MMP12 (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15468611 0.85 MEN1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23312498 0.84
SCHEMBL20752532 0.84 KDM4E (0.38) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19559952 0.83 NPC1 (0.35) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL22243889 0.82 NR1I3 (0.38) MEN1KMT2AMAPT
SCHEMBL20961193 0.81
SCHEMBL19918535 0.81 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL24656699 0.81 PLA2G2A (0.32)

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
EP-4201930-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-06-28 EP disclosed