SCHEMBL7460232

SCHEMBL7460232

CC1=C(C#N)C(=O)CC(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
ALOX15 P16050 1/20 0.52
THRB P10828 1/20 0.52
ALDH1A1 P00352 8/20 0.42
HPGD P15428 3/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.41
KDM4E B2RXH2 5/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.36
ALPL P05186 1/20 0.34
MAPK1 P28482 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
Styrene SCHEMBL28168158 0.81 MEN1 (0.40) MEN1KMT2AGAAALOX15THRB
SCHEMBL24421929 0.78 MEN1 (0.46) MEN1KMT2AGAAALOX15THRB
SCHEMBL24421928 0.75 MEN1 (0.44) MEN1KMT2AGAAALOX15THRB
SCHEMBL24421936 0.71 MEN1 (0.67) MEN1KMT2AGAAALOX15THRB
SCHEMBL23229656 0.71 MEN1 (0.44) MEN1KMT2AGAAALOX15THRB
SCHEMBL24416703 0.71 MEN1 (0.44) MEN1KMT2AGAAALOX15THRB
SCHEMBL24421935 0.71 MEN1 (0.44) MEN1KMT2AGAAALOX15THRB
SCHEMBL27619285 0.71 ALDH1A1 (0.36) MEN1KMT2AGAAALOX15THRB
SCHEMBL11934162 0.70 MAOA (0.43) MEN1KMT2AGAAALDH1A1HTT
Ammonia Solution, Strong SCHEMBL28279025 0.69 MAOA (0.41) MEN1KMT2AGAAALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056553-A1 ALKYL SUBSTITUTED CYCLOHEXANECARBONITRILES Solvay SA (BE) 2022-09-14 EP claimed
CN-121673322-A Alkaline phosphatase responsive near infrared fluorescent probe and preparation method and application thereof 江苏食品药品职业技术学院 2026-03-17 CN disclosed
CN-121426826-A Nitrite peroxide responsive near infrared ratio fluorescent probe and preparation method and application thereof 江苏食品药品职业技术学院 2026-01-30 CN disclosed
WO-2024120808-A1 NOVEL MIXTURE OF CYCLOHEXANE CARBONITRILE ISOMERS SOLVAY SA (BE) 2024-06-13 WO disclosed
CN-114478319-B Synthesis method of dicyanoisophorone derivative and application of dicyanoisophorone derivative in detection of mercury ions 江苏大学 2023-10-10 CN disclosed
EP-4056553-A1 ALKYL SUBSTITUTED CYCLOHEXANECARBONITRILES Solvay SA (BE) 2022-09-14 EP disclosed
CN-114478319-A Synthesis method of dicyano isophorone derivative and application of dicyano isophorone derivative in detection of mercury ions 江苏大学 2022-05-13 CN disclosed
CN-109879883-A A kind of Bichromophore zinc ion fluorescent compound and its preparation method and application 江苏科技大学 2019-06-14 CN disclosed
US-6361717-B1 RING-LOCKED STRUCTURE; HEAT RESISTANT AND OPTICALLY TRANSPARENT AT TELECOMMUNICATION WAVELENGTHS; USED IN SIGNAL DETECTION/PROCESSING AND TELECOMMUNICATIONS PACIFIC WAVE INDUSTRIES, INC. 2002-03-26 US disclosed
WO-2001079750-A1 STERICALLY STABILIZED POLYENE-BRIDGED SECOND-ORDER NONLINEAR OPTICAL CHROMOPHORES AND DEVICES INCORPORATING THE SAME PACIFIC WAVE INDUSTRIES, INC. (US) 2001-10-25 WO disclosed
WO-2001053746-A1 STERICALLY STABILIZED SECOND-ORDER NONLINEAR OPTICAL CHROMOPHORES AND DEVICES INCORPORATING THE SAME PACIFIC WAVE INDUSTRIES, INC. (US) 2001-07-26 WO disclosed