SCHEMBL5605835

SCHEMBL5605835

CNc1cc(-c2ccc(N)c(NC)c2)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
TSHR P16473 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC2 Q92769 10/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC3 O15379 4/20 0.47
HSD17B10 Q99714 3/20 0.43
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.41
PRKCI P41743 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR6 P50406 1/20 0.38
KIF11 P52732 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
SCHEMBL19494021 0.93 TDP1 (0.61) CYP3A4ALDH1A1TDP1TSHRMEN1
SCHEMBL5604523 0.91 PRKCI (0.47) CYP3A4ALDH1A1TDP1TSHRMEN1
SCHEMBL3783607 0.91 HDAC2 (0.46) CYP3A4ALDH1A1TDP1TSHRMEN1
Water SCHEMBL28643226 0.89 HDAC2 (0.45) CYP3A4ALDH1A1TDP1TSHRMEN1
SCHEMBL3785608 0.89 HDAC2 (0.62) ALDH1A1MEN1KMT2AHDAC2HDAC1
SCHEMBL1058902 0.86 ALDH1A1 (0.52) CYP3A4ALDH1A1TDP1TSHRMEN1
SCHEMBL3784612 0.86 MAP4K4 (0.53) CYP3A4MEN1HDAC2HDAC1HDAC3
SCHEMBL3784073 0.82 ALDH1A1 (0.47) ALDH1A1HDAC2HDAC1HDAC3HSD17B10
SCHEMBL18045653 0.82 ALOX15 (0.57) CYP3A4ALDH1A1TDP1MEN1KMT2A
SCHEMBL10412397 0.80 PRKCI (0.53) CYP3A4ALDH1A1TDP1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277915-B1 PHOTOINITIATOR MIXTURE CONTAINING A TITANOCENE AND A 3-KETOCOUMARIN CIBA-GEIGY AG (CH) 1991-09-04 EP claimed
EP-0119162-B1 PHOTOPOLYMERISABLE COMPOSITION, MATERIAL COATED THEREWITH, AND PROCESS FOR OBTAINING RELIEF IMAGES CIBA-GEIGY AG (CH) 1988-03-23 EP claimed
EP-0119162-A2 Photopolymerisable composition, material coated therewith, and process for obtaining relief images CIBA-GEIGY AG (CH) 1984-09-19 EP claimed
EP-1462470-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2007-08-29 EP disclosed
US-20060241275-A1 Dielectric films and materials therefor NAGANO SHINYA 2006-10-26 US disclosed
US-7090925-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-08-15 US disclosed
US-20040192880-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-30 US disclosed
EP-1462470-A1 Dielectric films and materials therefor Daicel Chemical Industries, Ltd. (JP) 2004-09-29 EP disclosed
EP-0277915-B1 PHOTOINITIATOR MIXTURE CONTAINING A TITANOCENE AND A 3-KETOCOUMARIN CIBA-GEIGY AG (CH) 1991-09-04 EP disclosed
EP-0119162-B1 PHOTOPOLYMERISABLE COMPOSITION, MATERIAL COATED THEREWITH, AND PROCESS FOR OBTAINING RELIEF IMAGES CIBA-GEIGY AG (CH) 1988-03-23 EP disclosed
EP-0119162-A2 Photopolymerisable composition, material coated therewith, and process for obtaining relief images CIBA-GEIGY AG (CH) 1984-09-19 EP disclosed