SCHEMBL6137413

SCHEMBL6137413

CC1=C(C#N)C(c2cc(Cl)cc(Cl)c2)NC(=O)N1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.36
CYP2C9 P11712 2/20 0.36
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CCR2 P41597 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL6137166 0.83 KMT2A (0.45) ELANECYP2C9ALDH1A1TSHRSMN1; SMN2
SCHEMBL6137123 0.82 TP53 (0.44) ELANECYP2C9KDM4EALDH1A1SMN1; SMN2
SCHEMBL6607734 0.81 ELANE (0.37) ELANECYP2C9KDM4EALDH1A1SMN1; SMN2
SCHEMBL6137190 0.76 LMNA (0.42) ELANECYP2C9KDM4EALDH1A1TSHR
SCHEMBL6608315 0.74 ELANE (0.37) ELANECYP2C9KDM4EALDH1A1TSHR
SCHEMBL6137239 0.72 ALDH1A1 (0.43) ELANECYP2C9KDM4EALDH1A1TSHR
SCHEMBL6608143 0.72 ALOX5 (0.39) ELANECYP2C9KDM4ETSHRMEN1
SCHEMBL6137417 0.69 TSHR (0.36) CYP2C9KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL6137197 0.59 NPSR1 (0.48) CYP2C9KDM4EALDH1A1TSHRSMN1; SMN2
1,3,5-Trichlorobenzene SCHEMBL28758659 0.56 TPMT (0.57) KDM4EALDH1A1TSHRMEN1KMT2A

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-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-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
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