SCHEMBL9781306

SCHEMBL9781306

COc1ccccc1CN(C(=O)C(Cl)Cl)C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
CRHBP P24387 1/20 0.52
KMT2A Q03164 1/20 0.52
CRHR2 Q13324 1/20 0.52
ACHE P22303 6/20 0.51
BCHE P06276 5/20 0.51
HTT P42858 2/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
YAP1 P46937 1/20 0.43
BLM P54132 1/20 0.43
TEAD4 Q15561 1/20 0.43
TAS2R14 Q9NYV8 2/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9781304 0.88 ALDH1A1 (0.47) MEN1KMT2AHTTHPGDL3MBTL1
SCHEMBL9781366 0.83 HSD17B10 (0.55) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL9781377 0.82 ALDH1A1 (0.47) MEN1KMT2AHTTHPGDALDH1A1
SCHEMBL8796368 0.79 PTGES (0.56) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL9781270 0.76 LDHA (0.49) MEN1KMT2AHTTL3MBTL1ALDH1A1
SCHEMBL14540454 0.76 MEN1 (0.74) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL12088736 0.75 CHRM2 (0.56) MEN1CRHBPKMT2ACRHR2ACHE
SCHEMBL9781303 0.74 HSP90AA1 (0.44) MEN1KMT2AKDM4EMAPTTSHR
SCHEMBL9781367 0.72 ROCK2 (0.53) MEN1KMT2AACHEBCHEHTT
SCHEMBL8705112 0.72 CHRM2 (0.53) MEN1CRHBPKMT2ACRHR2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0163607-B1 MEANS FOR THE PROTECTION OF CULTURE PLANTS AGAINST THE PHYTOTOXIC ACTION OF CHLORACETANILIDE HERBICIDES CIBA-GEIGY AG (CH) 1989-11-08 EP claimed
EP-0163607-A2 Means for the protection of culture plants against the phytotoxic action of chloracetanilide herbicides CIBA-GEIGY AG (CH) 1985-12-04 EP claimed
US-5028256-A Metolachlor and an acylamide compound, for maize or sorghum CIBA-GEIGY CORPORATION (US) 1991-07-02 US disclosed
US-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed
EP-0163607-B1 MEANS FOR THE PROTECTION OF CULTURE PLANTS AGAINST THE PHYTOTOXIC ACTION OF CHLORACETANILIDE HERBICIDES CIBA-GEIGY AG (CH) 1989-11-08 EP disclosed
EP-0163607-A2 Means for the protection of culture plants against the phytotoxic action of chloracetanilide herbicides CIBA-GEIGY AG (CH) 1985-12-04 EP disclosed