SCHEMBL23892809

SCHEMBL23892809

CN1C(=O)c2cccc(-n3c4ccccc4c4cccc(-n5c6ccccc6c6ccccc65)c43)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ USP2 O75604 3/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ATM Q13315 1/20 0.42
▸ DUSP3 P51452 1/20 0.42
▸ TTR P02766 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ CASP1 P29466 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ PRMT1 Q99873 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL19850801 0.99 CASP3 (0.41) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL19953869 0.94 CASP3 (0.47) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL19850804 0.88 DUSP3 (0.42) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL19848955 0.85 CA1 (0.38) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL19848827 0.85 HSD11B1 (0.38) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL23515987 0.85 DUSP3 (0.42) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL23515907 0.85 DUSP3 (0.42) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL19850805 0.84 DUSP3 (0.39) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL19850803 0.84 DUSP3 (0.39) CASP3MEN1KMT2AALDH1A1USP2
SCHEMBL23516506 0.83 MAPK14 (0.45) DUSP3MAPTBRD4

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-3494113-B1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-10-06 — — EP disclosed
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