SCHEMBL11544080

SCHEMBL11544080

CN(C)c1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.60
▸ HSD17B10 Q99714 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ CYP2C9 P11712 1/20 0.37

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
SCHEMBL27903552 0.87 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAHTTKMT2A
SCHEMBL11541402 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10GAAHTTKMT2A
SCHEMBL14358402 0.81 ALDH1A1 (0.67) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL10346382 0.81 ALDH1A1 (0.62) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL1100036 0.81 ALDH1A1 (0.62) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL14358080 0.79 ALDH1A1 (0.60) ALDH1A1GAAHTTKMT2AMEN1
SCHEMBL6756625 0.77 TP53 (0.45) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL3345475 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10GAAHTTKMT2A
SCHEMBL29438693 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAHTTKMT2A
SCHEMBL364459 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10GAAHTTKMT2A

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-4149872-A N-pyridinyl urea and cyclopropanecarboxamide herbicides SHELL OIL COMPANY (US) 1979-04-17 — — US disclosed
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