SCHEMBL30601281

SCHEMBL30601281

CCOC(=O)c1[nH]ccc1NCc1ccc(Cl)cc1C1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 9/20 0.38
▸ LMNA P02545 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ F2 P00734 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL30601308 1.00 ALOX15 (0.38) ALOX15LMNAUSP2MAPK1KDM4C
SCHEMBL30601259 0.88 KDM4E (0.39) ALOX15LMNAALDH1A1KDM4ECYP1A2
SCHEMBL30601258 0.86 GAA (0.39) ALOX15LMNAALDH1A1KDM4EHPGD
SCHEMBL17782060 0.86 GAA (0.39) ALOX15LMNAALDH1A1KDM4EHPGD
SCHEMBL27224141 0.81 ALDH1A1 (0.38) ALOX15LMNAUSP2MAPK1KDM4C
SCHEMBL27118027 0.81 ALOX15 (0.42) ALOX15LMNAUSP2ALDH1A1KDM4E
SCHEMBL17782057 0.80 ALOX15 (0.38) ALOX15LMNAUSP2MAPK1ALDH1A1
Hydrochloric Acid SCHEMBL27153929 0.80 ALOX15 (0.41) ALOX15LMNAUSP2ALDH1A1KDM4E
SCHEMBL17782022 0.80 ALOX15 (0.43) ALOX15LMNAUSP2ALDH1A1KDM4E
SCHEMBL27223533 0.79 F2 (0.41) ALOX15LMNAUSP2MAPK1KDM4C

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-116514816-A Pyrimidinone pyrrole derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-08-01 — — CN disclosed
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