SCHEMBL10911158

SCHEMBL10911158

Cc1nc(C)c(OC(=O)OC(C)C)c(-c2cccc([N+](=O)[O-])c2)c1OC(=O)OCCCCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ THPO P40225 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ CACNA1C Q13936 10/20 0.38
▸ CACNA1F O60840 9/20 0.38
▸ CACNA1D Q01668 9/20 0.38
▸ CACNA1S Q13698 9/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38

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
SCHEMBL10915424 0.97 MEN1 (0.41) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10913546 0.94 MEN1 (0.42) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10919211 0.91 ALDH1A1 (0.40) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10913866 0.91 KMT2A (0.40) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10922089 0.90 TDP1 (0.43) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10913245 0.89 KMT2A (0.39) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10915340 0.89 MEN1 (0.52) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10914143 0.89 KMT2A (0.43) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10915557 0.89 MEN1 (0.41) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL10924663 0.89 MAPT (0.46) MEN1KMT2AMAPTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0088940-B1 PYRIDINE-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BAYER AG (DE) 1986-05-21 — — EP disclosed
EP-0088938-B1 USE OF PYRIDINE COMPOUNDS FOR THE MANUFACTURE OF MEDICAMENTS WITH AN ANTIHYPOXEMIA AND ISCHEMIA-PROTECTIVE ACTIVITY BAYER AG (DE) 1986-04-30 — — EP disclosed
EP-0088940-A1 Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions BAYER AG (DE) 1983-09-21 — — EP disclosed
EP-0088938-A1 Use of pyridine compounds for the manufacture of medicaments with an antihypoxemia and ischemia-protective activity BAYER AG (DE) 1983-09-21 — — EP disclosed
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