SCHEMBL11037387

SCHEMBL11037387

CN(C=C([C]=O)C#N)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 5/20 0.39
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.34
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APP P05067 1/20 0.33
LMNA P02545 1/20 0.33
RCE1 Q9Y256 1/20 0.33

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
SCHEMBL11805141 0.89 ALDH1A1 (0.43) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL5983125 0.73 ALDH1A1 (0.45) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL18947245 0.73 MEN1 (0.39) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL11653256 0.73 MEN1 (0.47) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL12864663 0.72 APP (0.46) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL11800725 0.71 RAB9A (0.48) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL11802704 0.71 RAB9A (0.48) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL4263629 0.70 APP (0.51) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL4263631 0.70 APP (0.51) RAB9AL3MBTL1ALDH1A1KMT2AMAPT
SCHEMBL11678005 0.70 TRPA1 (0.38) RAB9AL3MBTL1ALDH1A1KMT2AMAPT

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-0170203-A2 4H-Pyrido(2,3-d)(1,3)oxazin-4-one derivatives, process for their preparation, and their use for combating undesired vegetation BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
EP-0024669-B1 SUBSTITUTED N-BENZOYLANTHRANILIC ACID DERIVATIVES AND THEIR ANHYDRO DERIVATIVES, PROCESS FOR THEIR PREPARATION, THEIR USE AS HERBICIDES AND COMPOSITIONS THEREFOR BASF Aktiengesellschaft (DE) 1983-04-06 EP disclosed
EP-0019759-B1 N-ARYLTHIOLCARBAMATES, HERBICIDES CONTAINING THEM AND PROCESS FOR COMBATING UNDESIRABLE PLANT GROWTH THEREWITH BASF Aktiengesellschaft (DE) 1982-02-10 EP disclosed