SCHEMBL28362136

SCHEMBL28362136

Cc1cc(-c2ccc(C=C3NC(=O)N(c4ccc(C(=O)O)cc4)C3=O)o2)c([N+](=O)[O-])cc1C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 13/20 0.66
▸ CREBBP Q92793 1/20 0.66
▸ KDM4E B2RXH2 5/20 0.66
▸ ALDH1A1 P00352 5/20 0.66
▸ POLB P06746 5/20 0.66
▸ TDP1 Q9NUW8 4/20 0.66
▸ MAPT P10636 4/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ RECQL P46063 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ APEX1 P27695 2/20 0.66
▸ PSMD14 O00487 1/20 0.66
▸ MMP2 P08253 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ DNMT1 P26358 1/20 0.66
▸ CTDSP1 Q9GZU7 1/20 0.66
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ SENP8 Q96LD8 1/20 0.54
▸ SENP7 Q9BQF6 1/20 0.54

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
SCHEMBL28362223 0.83 EP300 (0.65) EP300CREBBPKDM4EALDH1A1POLB
SCHEMBL29711734 0.80 EP300 (1.00) EP300CREBBPPOLBMEN1KMT2A
SCHEMBL12092858 0.80 EP300 (1.00) EP300CREBBPPOLBMEN1KMT2A
SCHEMBL14991291 0.80 EP300 (1.00) EP300CREBBPPOLBMEN1KMT2A
SCHEMBL29441235 0.80 EP300 (1.00) EP300CREBBPPOLBMEN1KMT2A
SCHEMBL14991292 0.80 EP300 (1.00) EP300CREBBPPOLBMEN1KMT2A
SCHEMBL6397407 0.79 TDP1 (1.00) KDM4EALDH1A1POLBTDP1MAPT
SCHEMBL6397410 0.79 TDP1 (1.00) KDM4EALDH1A1POLBTDP1MAPT
SCHEMBL28883613 0.79 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL28848284 0.78 EP300 (0.71) EP300CREBBPALDH1A1MEN1KMT2A

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
CN-110862383-A Histone acetyltransferase P300 small-molecule inhibitor, medicinal composition thereof and application thereof 复旦大学 2020-03-06 — — CN disclosed
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