SCHEMBL6137145

SCHEMBL6137145

CC1=C(C#N)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
ELANE P08246 2/20 0.39
CYP2C9 P11712 2/20 0.39
IDO1 P14902 1/20 0.38
SLC6A3 Q01959 5/20 0.33
SLC6A2 P23975 3/20 0.33
GAA P10253 3/20 0.33
LIG1 P18858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
AGTR1 P30556 1/20 0.33
SLC6A4 P31645 3/20 0.32
PDE5A O76074 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6137194 0.86 MEN1 (0.42) LMNAELANECYP2C9GAAALDH1A1
SCHEMBL6137118 0.85 HTT (0.43) LMNAELANECYP2C9IDO1SLC6A3
SCHEMBL6137413 0.84 ELANE (0.36) LMNAELANECYP2C9GAAALDH1A1
SCHEMBL6608283 0.80 ELANE (0.40) LMNAELANECYP2C9GAAALDH1A1
SCHEMBL6137082 0.80 TDP1 (0.50) LMNAELANECYP2C9IDO1ALDH1A1
SCHEMBL6608090 0.80 MAPK1 (0.44) LMNAELANECYP2C9ALDH1A1TSHR
SCHEMBL6137174 0.80 ALDH1A1 (0.44) LMNAELANECYP2C9GAAALDH1A1
SCHEMBL6609319 0.78 ALDH1A1 (0.46) ELANECYP2C9GAAALDH1A1
SCHEMBL6137233 0.78 ELANE (0.39) LMNAELANECYP2C9GAAALDH1A1
SCHEMBL6137183 0.77 ATM (0.50) LMNAGAAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP claimed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed
EP-1372657-A4 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2005-11-09 EP disclosed
EP-1373221-A4 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1373223-A4 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL MYERS SQUIBB CO (US) 2004-09-29 EP disclosed
EP-1372657-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
EP-1373221-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
EP-1373223-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
WO-2002079169-A1 CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002079149-A2 NOVEL CYANO-SUBSTITUTED DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USE TO TREAT DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed
WO-2002078639-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed