SCHEMBL11207673

SCHEMBL11207673

O=C(O)C(Nc1cccc(Cl)c1)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MDM2 Q00987 1/20 0.48
KCNJ5 P48544 1/20 0.44
KCNJ3 P48549 1/20 0.44
HPGD P15428 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
EGFR P00533 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL2639604 0.83 NPC1 (0.54) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL11339350 0.81 PTGS1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL11339346 0.81 PTGS1 (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL11201833 0.81 RAB9A (0.45) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL11349351 0.80 MAPT (0.49) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL11182616 0.78 MEN1 (0.56) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL11872871 0.77 MEN1 (0.55) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL9298091 0.76 KEAP1 (0.52) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL9298095 0.76 KEAP1 (0.52) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL4448947 0.76 HPGD (0.54) MEN1KMT2ARAB9ANPC1LMNA

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