SCHEMBL8607649

SCHEMBL8607649

CC(C)(C)C(=O)C(C#N)C(=O)c1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
AVPR2 P30518 1/20 0.41
GPR27 Q9NS67 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
SMO Q99835 3/20 0.40

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
SCHEMBL8608661 0.83 CACNA1B (0.39) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8606555 0.82 LMNA (0.43) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL6557980 0.81 LMNA (0.41) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL8607015 0.81 LMNA (0.41) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL8608629 0.80 LMNA (0.40) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL8608348 0.79 KDM4E (0.39) LMNAALDH1A1MEN1KMT2ARXFP1
SCHEMBL1016807 0.73 LMNA (0.59) LMNAPDK1PDK2PDK3PDK4
SCHEMBL8609224 0.70 CACNA1B (0.40) LMNAPDK1PDK2PDK3PDK4
SCHEMBL403618 0.70 LMNA (0.74) LMNAAVPR2GPR27ALDH1A1MEN1
SCHEMBL12724094 0.70 LMNA (0.59) LMNAAVPR2GPR27ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP claimed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP claimed
JP-4312565-A None JP disclosed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
EP-0460855-B1 Polymerizable compositions and method of producing in-mold cured products using same TAKEMOTO OIL & FAT CO LTD (JP) 1995-06-28 EP disclosed
EP-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP disclosed
JP-H04312565-A HERBICIDE RHONE POULENC AGRICULTURE LTD 1992-11-04 JP disclosed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed
EP-0460855-A2 Polymerizable compositions and method of producing in-mold cured products using same Takemoto Yushi Kabushiki Kaisha (JP) 1991-12-11 EP disclosed