SCHEMBL5175907

SCHEMBL5175907

COc1cccc(-n2ccnc2-n2ccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C19 P33261 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FGFR1 P11362 1/20 0.47
IDO1 P14902 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL11417041 0.99 MAPT (0.50) CYP11B1CYP11B2MAPTLMNACYP1A2
SCHEMBL6389607 0.82 CYP11B1 (0.71) CYP11B1CYP11B2MAPTLMNACYP1A2
SCHEMBL21295831 0.77 TUBB1 (0.43) CYP11B1CYP11B2LMNACYP1A2CYP3A4
SCHEMBL17153813 0.74 NOTUM (0.50) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL17861288 0.74 ALDH1A1 (0.54) MAPTLMNACYP3A4ALDH1A1FGFR1
SCHEMBL5508862 0.74 TDP1 (0.44) CYP11B1CYP11B2MAPTLMNACYP1A2
SCHEMBL23514345 0.71 IDO1 (0.58) CYP11B1CYP11B2CYP3A4ALDH1A1IDO1
SCHEMBL6536350 0.71 HTT (0.71) CYP11B2MAPTLMNACYP3A4TDP1
SCHEMBL31138008 0.71 CYP11B1 (0.68) CYP11B1CYP11B2MAPTLMNACYP1A2
SCHEMBL14483736 0.71 CYP11B1 (0.68) CYP11B1CYP11B2MAPTLMNACYP1A2

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-1866357-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF Showa Denko K.K. (JP) 2007-12-19 EP disclosed
EP-1812381-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO KABUSHIKI KAISHA (JP) 2007-08-01 EP disclosed
WO-2006103979-A1 (METH)ACRYLOYL GROUP-CONTAINING AROMATIC ISOCYANATE COMPOUND AND PRODUCTION PROCESS THEREOF SHOWA DENKO K.K. (JP) 2006-10-05 WO disclosed
WO-2006049264-A1 ETHYLENICALLY UNSATURATED GROUP-CONTAINING ISOCYANATE COMPOUND AND PROCESS FOR PRODUCING THE SAME, AND REACTIVE MONOMER, REACTIVE (METH)ACRYLATE POLYMER AND ITS USE SHOWA DENKO K.K. (JP) 2006-05-11 WO disclosed
EP-1478668-A2 THIOL COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPOSITION AND PHOTOSENSITIVE COMPOSITION Showa Denko K.K. (JP) 2004-11-24 EP disclosed
EP-1388025-A2 PHOTOSENSITIVE COLORING COMPOSITON, COLOR FILTER USING THE COMPOSITON AND METHOD OF PRODUCING THE SAME Showa Denko K.K. (JP) 2004-02-11 EP disclosed
WO-2003072614-A2 THIOL COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPOSITION AND PHOTOSENSITIVE COMPOSITION SHOWA DENKO K.K. (JP) 2003-09-04 WO disclosed
WO-2002093255-A2 PHOTOSENSITIVE COLORING COMPOSITON, COLOR FILTER USING THE COMPOSITON AND METHOD OF PRODUCING THE SAME SHOWA DENKO K. K. (JP) 2002-11-21 WO disclosed
US-4029506-A Universal product code marking composition containing a photosensitive dye former, a pigment and a binder and the use thereof E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-06-14 US disclosed