SCHEMBL5078700

SCHEMBL5078700

CC(C)=Nc1cc(-c2ccc(N)c(N)c2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ CYP3A4 P08684 7/20 0.42
▸ CYP17A1 P05093 2/20 0.42
▸ CYP19A1 P11511 2/20 0.42
▸ CYP11B1 P15538 2/20 0.42
▸ CYP11B2 P19099 2/20 0.42
▸ KCNH2 Q12809 2/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ ALOX15 P16050 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.34
▸ GFER P55789 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ MAPT P10636 3/20 0.33

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
SCHEMBL5470900 0.94 CYP3A4 (0.43) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5080857 0.91 TDP1 (0.52) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5475452 0.91 KMT2A (0.41) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5078693 0.89 TDP1 (0.54) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5080855 0.82 KMT2A (0.42) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5084688 0.74 ALDH1A1 (0.31) TDP1CYP3A4ALDH1A1HPGDESR2
SCHEMBL5082259 0.74 TDP1 (0.70) TDP1KMT2AMEN1CYP3A4CYP17A1
SCHEMBL5703601 0.74 PTK2 (0.40) —
SCHEMBL5832862 0.74 PTK2 (0.37) TDP1CYP3A4ALOX15SMN1; SMN2TP53
SCHEMBL5080918 0.74 NOS1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1462471-B1 Dielectric films and materials therefor DAICEL CHEM (JP) 2008-07-30 — — EP disclosed
US-7186454-B2 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-03-06 — — US disclosed
EP-1681284-A1 AROMATIC POLYAMINE DERIVATIVE Daicel Chemical Industries, Ltd. (JP) 2006-07-19 — — EP disclosed
EP-1462471-A1 Dielectric films and materials thereof Daicel Chemical Industries, Ltd. (JP) 2004-09-29 — — EP disclosed
US-20040175858-A1 Dielectric films and materials therefor DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-09 — — US disclosed
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