SCHEMBL21524759

SCHEMBL21524759

O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)N(c1ccc(-n2c4c(c5ccccc52)CCCC4O)cc1-n1c2c(c4ccccc41)CCCC2O)C3=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD1 O95696 3/20 0.34
▸ BRPF1 P55201 3/20 0.34
▸ TAF1 P21675 2/20 0.34
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ TLR9 Q9NR96 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ BRD4 O60885 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TNNI3 P19429 1/20 0.31
▸ TNNT2 P45379 1/20 0.31
▸ TNNC1 P63316 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ HPGD P15428 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
SCHEMBL16848484 0.75 ACHE (0.38) MEN1KMT2AHTTL3MBTL1LMNA
SCHEMBL16521575 0.72 MEN1 (0.42) MEN1KMT2AUSP2HTTTLR9
SCHEMBL25104929 0.69 KDM4E (0.44) MEN1KMT2AUSP2L3MBTL1MAPT
SCHEMBL16521566 0.66 NPC1 (0.41) MEN1KMT2AUSP2HTTL3MBTL1
SCHEMBL16848511 0.63 TYMS (0.39) MEN1KMT2AUSP2HTTTLR9
SCHEMBL17622179 0.61 POLB (0.46) MEN1KMT2AL3MBTL1POLBALDH1A1
SCHEMBL13624634 0.60 HTR6 (0.51) —
SCHEMBL16848483 0.60 HSD17B10 (0.42) MEN1KMT2AUSP2LMNAMAPT
SCHEMBL16848509 0.60 ESR1 (0.49) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL14142098 0.60 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1CYP1A2

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
US-10461269-B2 Crosslinkable, /polymerizable and combinations thereof charge-transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications and method of making same MOLECULAR GLASSES, INC. (US) 2019-10-29 — — US disclosed
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