SCHEMBL31422949

SCHEMBL31422949

CN(C(=O)OC(C)(C)C)c1ccc2cc(C(=O)O)c(=O)[nH]c2c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ BRD4 O60885 2/20 0.40
▸ PAX8 Q06710 1/20 0.38
▸ SLC16A3 O15427 2/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ SLC16A1 P53985 1/20 0.34
▸ ATM Q13315 1/20 0.33

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
SCHEMBL31422905 0.88 BRD4 (0.39) KDM4EGAAALDH1A1POLBBRD4
SCHEMBL31273615 0.81 SLC16A3 (0.54) KDM4EGAAALDH1A1POLBSLC16A3
SCHEMBL29276902 0.76 TSHR (0.44) ALDH1A1POLBBRD4PAX8CREBBP
SCHEMBL25427065 0.75 ALDH1A1 (0.56) KDM4EGAAALDH1A1POLBSLC16A3
SCHEMBL30529281 0.75 ALDH1A1 (0.56) KDM4EGAAALDH1A1POLBSLC16A3
SCHEMBL2432980 0.74 STAT5B (0.46) KDM4EGAAALDH1A1POLBBRD4
SCHEMBL30339105 0.74 RXRB (0.42) BRD4PAX8CREBBPMEN1KMT2A
SCHEMBL24072766 0.74 RXRB (0.42) BRD4PAX8CREBBPMEN1KMT2A
SCHEMBL16670002 0.73 KDM4E (0.46) KDM4EPOLBBRD4PAX8MEN1
SCHEMBL18147237 0.73 ALDH1A1 (0.44) KDM4EGAAALDH1A1POLBBRD4

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
WO-2025085233-A1 NOVEL DERIVATIVES OF QUINOLINONES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-04-24 — — WO disclosed
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