SCHEMBL11639422

SCHEMBL11639422

Cc1cc2c(cc1C=O)n(C)c(=O)n2C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATAD2 Q6PL18 1/20 0.55
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TDP2 O95551 1/20 0.46
▸ NGF P01138 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ BRD4 O60885 2/20 0.41
▸ BRPF1 P55201 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PDE3B Q13370 1/20 0.39

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
SCHEMBL19657546 0.80 ATAD2 (0.71) ATAD2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL11634100 0.76 S100B (0.59) MAPTALDH1A1BRD4BRPF1KDM4E
Cyanide SCHEMBL25408115 0.74 ATAD2 (0.49) ATAD2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL2884919 0.72 GRIA1 (0.56) MAPTKMT2AMEN1TDP2NGF
SCHEMBL16771511 0.71 ATAD2 (1.00) ATAD2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL9027928 0.71 ATAD2 (0.64) ATAD2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL19657544 0.71 ATAD2 (0.59) ATAD2MAPTALDH1A1SMN1; SMN2BRD4
SCHEMBL18128766 0.70 GRIA1 (0.54) MAPTKMT2AMEN1TDP2NGF
SCHEMBL19657848 0.69 ATAD2 (0.57) ATAD2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL1525859 0.68 ALDH1A1 (0.55) MAPTALDH1A1SMN1; SMN2BRD4BRPF1

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-4109008-A SUBSTITUTED WITH AN AMIDINO AND A 1,3-DIMETHYL-2-OXO-BENZIMIDAZOL- 5-YL RADICAL HEXACHIMIE (FR) 1978-08-22 — — US disclosed
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