SCHEMBL28848284

SCHEMBL28848284

CC1=NN(c2ccc(C(=O)O)cc2)OC1=Cc1ccc(-c2cc(C)c(C)cc2[N+](=O)[O-])o1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 17/20 0.71
▸ CREBBP Q92793 1/20 0.71
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAB9A P51151 1/20 0.45
▸ F5 P12259 1/20 0.45

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
SCHEMBL14991291 0.83 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL14991292 0.83 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL29711734 0.83 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL29441235 0.83 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL12092858 0.83 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL14990918 0.82 EP300 (0.51) EP300CREBBPMEN1KMT2AALDH1A1
SCHEMBL14990917 0.82 EP300 (0.51) EP300CREBBPMEN1KMT2AALDH1A1
SCHEMBL28883613 0.78 EP300 (1.00) EP300CREBBPMEN1KMT2ARAB9A
SCHEMBL28362136 0.78 EP300 (0.66) EP300CREBBPMEN1KMT2AALDH1A1
SCHEMBL28362223 0.78 EP300 (0.65) EP300CREBBPMEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115124517-B Aromatic compound, preparation method, pharmaceutical composition and application thereof 复旦大学 2024-06-18 — — CN disclosed
CN-115124517-A Aromatic compound, preparation method thereof, pharmaceutical composition and application 复旦大学 2022-09-30 — — CN disclosed
Send feedback