SCHEMBL20169512

SCHEMBL20169512

C=CCc1ccc(C)c(CNC)c1N

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL9788883 0.77 POLB (0.37) GAAALDH1A1
SCHEMBL9261804 0.70 IMPDH2 (0.45)
SCHEMBL7751350 0.68 GABRA1 (0.46) GAAALDH1A1
SCHEMBL28107458 0.68 CYP3A4 (0.34) ALDH1A1
SCHEMBL13978658 0.67 GABRA1 (0.48) GAAALDH1A1
SCHEMBL29829217 0.67 GABRA1 (0.48) GAAALDH1A1
SCHEMBL14816113 0.67 NPSR1 (0.34) GAAALDH1A1
SCHEMBL670463 0.67 PTGDR (0.33) ALDH1A1
SCHEMBL10480235 0.67 GABRA1 (0.48) GAAALDH1A1
SCHEMBL20831073 0.67 ALDH1A1 (0.42) GAAALDH1A1

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-RE46856-E1 Substituted 2,3-dihydroimidazo[1,2-c]quinazoline derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-22 US disclosed