SCHEMBL11541402

SCHEMBL11541402

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.48
▸ GLP1R P43220 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ VCAM1 P19320 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35

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
SCHEMBL11544080 0.84 ALDH1A1 (0.60) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL27903552 0.81 ALDH1A1 (0.50) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL6756625 0.72 TP53 (0.45) ALDH1A1MEN1KMT2ALMNATDP1
SCHEMBL3345475 0.72 ALDH1A1 (0.50) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL29438693 0.71 ALDH1A1 (0.54) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL364459 0.71 ALDH1A1 (0.54) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL11539711 0.71 ALDH1A1 (0.42) ALDH1A1GAAHTTHSD17B10MEN1
SCHEMBL6755746 0.70 POLB (0.53) ALDH1A1MAPTTDP1
SCHEMBL8771743 0.70 KMT2A (0.46) ALDH1A1HTTHSD17B10MEN1KMT2A
SCHEMBL31453190 0.70 ALDH1A1 (0.42) ALDH1A1GAAHTTMEN1KMT2A

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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