SCHEMBL11636351

SCHEMBL11636351

CC(=O)Nc1ccc(OCc2ncc([N+](=O)[O-])n2C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.56
▸ MAPT P10636 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TBXAS1 P24557 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43

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
SCHEMBL11755910 0.81 LMNA (0.58) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL11727784 0.80 LMNA (0.56) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL11635148 0.80 LMNA (0.60) LMNAALDH1A1KMT2ATDP1KDM4E
SCHEMBL11641060 0.80 LMNA (0.59) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL11760508 0.80 LMNA (0.53) LMNAMAPTALDH1A1KMT2AKDM4E
SCHEMBL15752483 0.79 LMNA (0.59) LMNAMAPTALDH1A1KMT2AKDM4E
Fexinidazole SCHEMBL1163575 0.78 LMNA (0.57) LMNAMAPTALDH1A1KMT2AMEN1
SCHEMBL11756723 0.78 LMNA (0.54) LMNAMAPTALDH1A1L3MBTL1KMT2A
Fexinidazole Sulfone SCHEMBL11756026 0.78 LMNA (0.54) LMNAALDH1A1KMT2AKDM4ECYP2C19
Fexinidazole Sulfoxide SCHEMBL11730318 0.77 LMNA (0.53) LMNAMAPTALDH1A1KMT2AKDM4E

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
US-4105763-A 1-Methyl-2-(phenyl-oxymethyl)-5-nitro-imidazoles HOECHST AKTIENGESELLSCHAFT (DE) 1978-08-08 — — US disclosed
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