SCHEMBL4313276

SCHEMBL4313276

Nc1ccc(N)c(N=C=O)c1N=C=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
CYP3A4 P08684 3/20 0.36
TSHR P16473 1/20 0.36
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPA1 O75762 1/20 0.31

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
SCHEMBL29706645 0.87 CYP3A4 (0.41) GABRA1GABRB2CYP3A4TSHRMAPK1
SCHEMBL10798784 0.85 GABRA1 (0.42) GABRA1GABRB2CYP3A4TSHR
SCHEMBL5373569 0.82 CYP3A4 (0.38) GABRA1GABRB2CYP3A4TDP1TRPA1
SCHEMBL140959 0.80 CYP3A4 (0.34) GABRA1GABRB2CYP3A4TDP1
SCHEMBL28080025 0.79 SENP2 (0.44) GABRA1GABRB2CYP3A4TSHRTHRB
SCHEMBL5368373 0.77 CYP3A4 (0.38) GABRA1GABRB2CYP3A4TDP1TRPA1
SCHEMBL20893283 0.77 CYP3A4 (0.42) GABRA1GABRB2CYP3A4TSHRMAPK1
SCHEMBL10582680 0.76 ALDH1A1 (0.41) CYP3A4TSHRMAPK1TDP1
SCHEMBL1784005 0.75 CYP3A4 (0.50) GABRA1GABRB2CYP3A4TSHRTDP1
SCHEMBL9840375 0.74 GABRA1 (0.55) GABRA1GABRB2CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498178-B2 Carrier of a diamond fine particle for immobilizing virus Fujimura, Tadamasa (JP) 2009-03-03 US disclosed
US-7491554-B2 Carrier of a diamond fine particle for immobilizing virus Fujimura, Tadamasa (JP) 2009-02-17 US disclosed
US-7169535-B2 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2007-01-30 US disclosed
US-20060252033-A1 Carrier of a diamond fine particle for immobilizing virus Fujimura, Tadamasa (JP) 2006-11-09 US disclosed
US-7087367-B2 Silver salt photothermographic dry imaging material KONICA MINOLTA MEDICAL & GRAPHIC, INC (JP) 2006-08-08 US disclosed
US-20050170300-A1 Silver salt photothermographic dry imaging material KONICA MINOLTA MEDICAL & GRAPHIC, INC. 2005-08-04 US disclosed
US-20040214159-A1 Carrier of a diamond fine particle for immobilizing virus NICCA CHEMICAL CO., LTD. (JP) 2004-10-28 US disclosed
EP-1471035-A2 A carrier of a diamond fine particle for immobilizing virus Tadamasa Fujimura (JP) 2004-10-27 EP disclosed
US-20040091816-A1 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2004-05-13 US disclosed
EP-1413925-A2 Photosensitive composition and photosensitive lithographic printing plate KONICA MINOLTA HOLDINGS, INC. (JP) 2004-04-28 EP disclosed