SCHEMBL26058023

SCHEMBL26058023

C1=Cc2c(n(-c3ccc(-c4cc(-c5cccc(-c6ccccc6)c5)nc(-c5ccccc5)n4)cc3)c3ccc4c(c5ccccc5n4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GLA P06280 1/20 0.34
▸ NTSR1 P30989 1/20 0.31

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
SCHEMBL13465838 0.89 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL12065487 0.89 MAPT (0.37) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL20083020 0.88 L3MBTL1 (0.33) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14232820 0.88 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL26057521 0.88 MEN1 (0.33) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL26032828 0.87 — —
SCHEMBL25829189 0.87 KDM4E (0.35) KMT2AKDM4E
SCHEMBL14232819 0.87 KDM4E (0.34) KDM4E
SCHEMBL12175647 0.86 MAPK1 (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL26057409 0.86 KMT2A (0.43) MEN1KMT2AALDH1A1MAPTHPGD

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-4235831-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL Chemical & Material Co., Ltd. (JP) 2023-08-30 — — EP disclosed
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