SCHEMBL11039837

SCHEMBL11039837

COC(=O)Oc1c(C)nc(C)c(OC(=O)OC)c1-c1cc([N+](=O)[O-])ccc1[S+](C)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HTT P42858 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ GRK6 P43250 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ F2 P00734 2/20 0.33
▸ PLAU P00749 2/20 0.33
▸ ELANE P08246 2/20 0.33
▸ CTRB1 P17538 2/20 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
SCHEMBL11254783 0.82 MEN1 (0.43) LMNASMN1; SMN2POLBMAPTHTT
SCHEMBL11038529 0.80 HSD17B10 (0.33) SMN1; SMN2POLBMAPT
SCHEMBL11254789 0.79 MEN1 (0.40) SMN1; SMN2POLBMAPTHTTKMT2A
SCHEMBL10924766 0.77 ALDH1A1 (0.54) SMN1; SMN2POLBMAPTKMT2AMEN1
SCHEMBL6959645 0.73 ALDH1A1 (0.44) LMNASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL10911007 0.69 ALDH1A1 (0.46) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL10910626 0.69 ALDH1A1 (0.45) LMNAPOLBMAPTKMT2AMEN1
SCHEMBL10920420 0.68 ALDH1A1 (0.46) MAPTKMT2AMEN1RAB9AALDH1A1
SCHEMBL10913108 0.67 ALDH1A1 (0.43) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL11401431 0.67 ALDH1A1 (0.32) LMNASMN1; SMN2MAPTNPC1RAB9A

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-0042566-B1 4,4-DISUBSTITUTED 1,4-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICAMENTS BAYER AG (DE) 1984-09-05 — — EP disclosed
EP-0042569-B1 4,4-DISUBSTITUTED SPIRO-1,4-DIHYDROPYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS INTERMEDIATES BAYER AG (DE) 1983-10-12 — — EP disclosed
EP-0042566-A1 4,4-Disubstituted 1,4-dihydropyridines, process for their preparation and their use in medicaments BAYER AG (DE) 1981-12-30 — — EP disclosed
EP-0042569-A1 4,4-Disubstituted spiro-1,4-dihydropyridines, process for producing them and their use as intermediates BAYER AG (DE) 1981-12-30 — — EP disclosed
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