SCHEMBL10985885

SCHEMBL10985885

CS(=O)(=O)C(=Cc1cccc([N+](=O)[O-])c1)C(=O)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ GLO1 Q04760 2/20 0.53
▸ MAPT P10636 3/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ NFE2L2 Q16236 1/20 0.49
▸ FBP1 P09467 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ BRAF P15056 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
SCHEMBL11564320 0.80 GLO1 (0.58) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL10983080 0.80 GLO1 (0.59) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL11564904 0.75 GLO1 (0.63) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL10983993 0.74 GLO1 (0.66) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL8540758 0.72 CYP1A2 (0.58) LMNAGLO1MAPTCYP1A2ALDH1A1
SCHEMBL8540762 0.72 CYP1A2 (0.58) LMNAGLO1MAPTCYP1A2ALDH1A1
SCHEMBL2920007 0.72 GLO1 (0.70) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL2920009 0.72 GLO1 (0.70) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL6444743 0.72 GLO1 (0.70) LMNANPC1GLO1MAPTCYP1A2
SCHEMBL10896757 0.72 GLO1 (0.61) LMNANPC1GLO1MAPTCYP1A2

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
US-4551467-A Vasodilating cyanoalkyl esters of 1,4-dihydropyridines BAYER AKTIENGESELLSCHAFT (DE) 1985-11-05 — — US disclosed
US-4179500-A 1,4-Dihydropyridine-sugar derivatives, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1979-12-18 — — US disclosed
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