SCHEMBL4067752

SCHEMBL4067752

CCOC(=O)Oc1cc2nc(N)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
F7 P08709 3/20 0.38
HPGD P15428 3/20 0.38
MMP13 P45452 3/20 0.38
MMP2 P08253 2/20 0.38
ADORA3 P0DMS8 1/20 0.37
CHEK1 O14757 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 1/20 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
SCHEMBL3961035 0.80 KDM4E (0.58) HSD17B10ALDH1A1KDM4ERAB9AMAPT
SCHEMBL3943265 0.78 CYP2A6 (0.49) HSD17B10ALDH1A1KDM4ERAB9AMAPT
SCHEMBL4039329 0.77 ATAD2 (0.49) HSD17B10ALDH1A1KDM4ERAB9AMAPT
SCHEMBL4070943 0.76 GABRA1 (0.36) HSD17B10ALDH1A1KDM4ERAB9AMAPT
SCHEMBL4397179 0.75 LCK (0.38) HSD17B10KDM4EMMP13ADORA3POLB
SCHEMBL18886844 0.73 GAA (0.48) HSD17B10CA2ALDH1A1KDM4ERAB9A
SCHEMBL5260106 0.73 KDM4E (0.48) HSD17B10ALDH1A1KDM4ERAB9AMAPT
SCHEMBL4707817 0.72 KDM4E (0.48) HSD17B10ALDH1A1KDM4ERAB9ANPC1
SCHEMBL18886853 0.72 KMT2A (0.54) HSD17B10ALDH1A1KDM4ERAB9ANPC1
SCHEMBL18886841 0.72 GABRA1 (0.46) HSD17B10ALDH1A1KDM4ERAB9ANPC1

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