SCHEMBL1305383

SCHEMBL1305383

CC1=C(C#N)C(=O)N(c2ccccc2)C(=O)C1=CC=Cc1c(C)c(C#N)c(=O)n(-c2ccccc2)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ KDM4E B2RXH2 7/20 0.35
▸ ALDH1A1 P00352 9/20 0.34
▸ KMT2A Q03164 9/20 0.34
▸ MEN1 O00255 6/20 0.34
▸ MAPT P10636 6/20 0.34
▸ NPSR1 Q6W5P4 4/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ PKM P14618 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MET P08581 1/20 0.33
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 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
SCHEMBL13850302 1.00 HPGD (0.36) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL1305381 1.00 HPGD (0.36) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL12153800 1.00 HPGD (0.36) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL12240030 0.96 HPGD (0.35) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL6682468 0.89 PTPN1 (0.33) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL6678545 0.89 PTPN1 (0.33) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL12239899 0.88 HPGD (0.33) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL12216628 0.88 HPGD (0.34) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL12216620 0.85 HPGD (0.33) HPGDCYP1A2CYP2C9KDM4EALDH1A1
SCHEMBL14074313 0.80 RORC (0.38) HPGDKDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8052829-B2 Photopolymerizable compositions containing an oxonol dye DYMAX CORPORATION (US) 2011-11-08 — — US claimed
EP-2053065-B1 Photopolymerizable compositions containing an oxonol dye DYMAX CORP (US) 2010-12-22 — — EP claimed
US-20090110844-A1 PHOTOPOLYMERIZABLE COMPOSITIONS CONTAINING AN OXONOL DYE DYMAX CORPORATION 2009-04-30 — — US claimed
EP-2053065-A1 Photopolymerizable compositions containing an oxonol dye Dymax Corporation (US) 2009-04-29 — — EP claimed
US-8052829-B2 Photopolymerizable compositions containing an oxonol dye DYMAX CORPORATION (US) 2011-11-08 — — US disclosed
EP-2053065-B1 Photopolymerizable compositions containing an oxonol dye DYMAX CORP (US) 2010-12-22 — — EP disclosed
US-20090110844-A1 PHOTOPOLYMERIZABLE COMPOSITIONS CONTAINING AN OXONOL DYE DYMAX CORPORATION 2009-04-30 — — US disclosed
EP-2053065-A1 Photopolymerizable compositions containing an oxonol dye Dymax Corporation (US) 2009-04-29 — — EP disclosed
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