SCHEMBL5350608

SCHEMBL5350608

O=C(O)c1ccc2c(c1)ncc1n[nH]c(=O)n12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
HCAR3 P49019 6/20 0.44
FGFR1 P11362 1/20 0.44
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CHEK1 O14757 4/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
HCAR2 Q8TDS4 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
SCHEMBL29892764 0.70 HPGD (0.47) HPGDHCAR3FGFR1HSD17B10GAA
SCHEMBL5362222 0.69 HCAR3 (0.49) HPGDHCAR3FGFR1HSD17B10GAA
SCHEMBL5351179 0.69 ADORA1 (0.45) HPGDHCAR3HSD17B10THRBALDH1A1
SCHEMBL10745104 0.67 KDM4E (0.40) HPGDHCAR3HSD17B10GAAALDH1A1
SCHEMBL824442 0.66 HSD17B10 (0.53) HPGDHCAR3FGFR1HSD17B10GAA
SCHEMBL29892844 0.65 HSD17B10 (0.55) HPGDHCAR3FGFR1HSD17B10GAA
SCHEMBL31461005 0.65 HCAR3 (0.47) HPGDHCAR3FGFR1HSD17B10GAA
SCHEMBL599310 0.64 HCAR3 (0.65) HPGDHCAR3FGFR1HSD17B10GAA
SCHEMBL20996080 0.64 CHEK1 (0.39) CHEK1
SCHEMBL28227235 0.64 FGFR1 (0.60) HPGDHCAR3FGFR1HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202245-B2 Substituted 4-amino[1,2,4]triazolo[4,3-a] quinoxalines PFIZER INC. (US) 2007-04-10 US disclosed