SCHEMBL11025090

SCHEMBL11025090

CN(Sc1ccc(Cl)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TSHR P16473 2/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ HTT P42858 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA3 P07451 1/20 0.36

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
SCHEMBL11768056 0.82 CYP2C19 (0.46) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10
Fluoride SCHEMBL11251153 0.81 CYP2C19 (0.44) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10
SCHEMBL10981221 0.81 MAPT (0.44) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10
SCHEMBL2981447 0.80 SCN2A (0.40) MAPTL3MBTL1CYP2C19HSD17B10TSHR
1,4-Dichlorobenzene SCHEMBL27657139 0.77 TSHR (0.54) MAPTL3MBTL1CYP2C19CYP2C9TSHR
SCHEMBL18311982 0.69 ALDH1A1 (0.47) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10
1,4-Dichlorobenzene SCHEMBL27598976 0.69 NPC1 (0.54) MAPTL3MBTL1CYP2C19CYP2C9TSHR
SCHEMBL4052304 0.69 MAPT (0.54) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10
SCHEMBL11226102 0.68 MAPT (0.54) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10
Hydrochloric Acid SCHEMBL27449209 0.68 ALDH1A1 (0.46) MAPTL3MBTL1CYP2C19CYP2C9HSD17B10

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
EP-0058346-B1 N SULFENYL OXIMECARBAMATES, PREPARATION THEREOF AND USE THEREOF AS PESTICIDE BAYER AG (DE) 1985-01-16 — — EP disclosed
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