SCHEMBL6137166

SCHEMBL6137166

CC1=C(C#N)C(c2ccccc2)NC(=O)N1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 7/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.40
TRPC5 Q9UL62 1/20 0.40
USP2 O75604 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL6137123 0.90 TP53 (0.44) KMT2AMEN1TDP1ELANECYP2C9
SCHEMBL6609236 0.87 ELANE (0.45) TDP1ELANECYP2C9TSHR
SCHEMBL6608283 0.86 ELANE (0.40) KMT2AMEN1TDP1ELANECYP2C9
SCHEMBL6137082 0.86 TDP1 (0.50) KMT2AMEN1TDP1ELANECYP2C9
SCHEMBL6137118 0.86 HTT (0.43) TDP1ELANECYP2C9ALDH1A1LMNA
SCHEMBL6608090 0.86 MAPK1 (0.44) KMT2AMEN1TDP1ELANECYP2C9
SCHEMBL6137365 0.86 ELANE (0.40) KMT2AMEN1TDP1ELANECYP2C9
SCHEMBL6137174 0.86 ALDH1A1 (0.44) KMT2AMEN1ELANECYP2C9ALDH1A1
SCHEMBL6610339 0.85 ALDH1A1 (0.41) KMT2AMEN1ELANECYP2C9ALDH1A1
SCHEMBL6609319 0.84 ALDH1A1 (0.46) ELANECYP2C9ALDH1A1USP2GAA

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-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-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-2002078639-A2 A METHOD OF TREATING PROLIFERATIVE DISEASES USING EG5 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed