SCHEMBL11211222

SCHEMBL11211222

O=C(O)c1ccccc1NC(C(=O)O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
FTO Q9C0B1 9/20 0.48
TTR P02766 3/20 0.46
LMNA P02545 2/20 0.45

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
SCHEMBL11346216 0.84 MEN1 (0.71) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL9299014 0.81 KEAP1 (0.51) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL9299009 0.81 KEAP1 (0.51) MEN1KMT2ANPC1ALDH1A1RAB9A
SCHEMBL11493912 0.78 MEN1 (0.51) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL11203574 0.78 KMT2A (0.51) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL11205022 0.77 MEN1 (0.53) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL7584703 0.73 NPC1 (0.53) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL6244215 0.72 KCNQ2 (0.53) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL10385663 0.72 MEN1 (0.72) MEN1KMT2AMAPTKDM4ENPC1
SCHEMBL7577574 0.71 MEN1 (0.48) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0006713-B1 NOVEL ALPHA-AMINO-PHENYLACETIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS HERBICIDAL, ALGICIDAL AND PLANT GROWTH REGULATING AGENTS, AND HERBICIDAL, ALGICIDAL AND PLANT GROWTH REGULATING COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-07-13 EP disclosed
US-4246429-A HERBICIDES, ALGICIDES, PLANT GROWTH REGULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 1981-01-20 US disclosed
EP-0006713-A1 Novel alpha-amino-phenylacetic acid derivatives, processes for their preparation, their use as herbicidal, algicidal and plant growth regulating agents, and herbicidal, algicidal and plant growth regulating compositions containing them JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-09 EP disclosed