SCHEMBL11269628

SCHEMBL11269628

NC(=O)NCc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
HSD17B10 Q99714 1/20 0.49
MAPT P10636 3/20 0.47
PLA2G1B P04054 2/20 0.47
ATG4B Q9Y4P1 2/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL30100426 0.80 KMT2A (0.59) KMT2AMEN1HSD17B10MAPTALDH1A1
SCHEMBL624764 0.78 CYP2C9 (0.58) RAB9ANPC1MAPTALDH1A1CYP2C19
SCHEMBL5641851 0.78 SMN1; SMN2 (0.59) KMT2AMEN1MAPTALDH1A1CYP3A4
SCHEMBL6939496 0.78 MEN1 (0.63) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL2205749 0.77 HSD17B10 (0.62) KMT2ARAB9AHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL23675419 0.77 NPC1 (0.65) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL2012871 0.77 HSD17B10 (0.49) KMT2AMEN1RAB9ANPC1HSD17B10
SCHEMBL2528975 0.76 MAPT (0.49) KMT2AMEN1RAB9AHSD17B10MAPT
SCHEMBL844111 0.76 HSD17B10 (0.60) KMT2AHSD17B10MAPTALDH1A1CYP1A2
SCHEMBL2084055 0.76 HSD17B10 (0.60) KMT2AHSD17B10ALDH1A1SMN1; SMN2CYP1A2

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
EP-0003619-B1 HETEROCYCLIC-SUBSTITUTED ANILIDE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, HERBICIDAL COMPOSITIONS CONTAINING THEM AND A METHOD OF CONTROLLING UNDESIRED PLANT GROWTH USING THEM SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1982-05-05 EP disclosed
EP-0003619-A2 Heterocyclic-substituted anilide derivatives, a process for their preparation, herbicidal compositions containing them and a method of controlling undesired plant growth using them SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-08-22 EP disclosed