SCHEMBL4070943

SCHEMBL4070943

CCOC(=O)Oc1cc2cc(N)ncc2[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.36
GABRG2 P18507 5/20 0.36
GABRB3 P28472 5/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 5/20 0.36
GABRA4 P48169 5/20 0.36
GABRA6 Q16445 5/20 0.36
ALDH1A1 P00352 5/20 0.36
GABRP O00591 4/20 0.36
GABRD O14764 4/20 0.36
GABRB1 P18505 4/20 0.36
GABRB2 P47870 4/20 0.36
GABRE P78334 4/20 0.36
GABRG1 Q8N1C3 4/20 0.36
GABRG3 Q99928 4/20 0.36
GABRQ Q9UN88 4/20 0.36
KDM4E B2RXH2 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL3955334 0.80 KDM4E (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6268309 0.79 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3943265 0.78 CYP2A6 (0.49) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL4072714 0.76 GSK3B (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4067752 0.76 HSD17B10 (0.39) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL19179966 0.76 GPR35 (0.44) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL9234958 0.74 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL6260071 0.73 KDM4E (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18886844 0.73 GAA (0.48) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA
SCHEMBL5260106 0.73 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2NPC1LMNA

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
EP-2036906-A1 Azaindoles as inhibitors of soluble adenylate cyclase Bayer Schering Pharma Aktiengesellschaft (DE) 2009-03-18 EP disclosed