SCHEMBL17753734

SCHEMBL17753734

Cn1cc(C(=O)NCCC2CCNCC2)c2cc[nH]c2c1=O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BRD9 Q9H8M2 6/20 0.60
▸ TAF1 P21675 5/20 0.60
▸ CECR2 Q9BXF3 4/20 0.60
▸ BRD4 O60885 8/20 0.48
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ CHRM1 P11229 1/20 0.42
▸ ITGB3 P05106 4/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ ATAD2 Q6PL18 2/20 0.40

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
SCHEMBL17753965 0.90 BRD9 (0.72) BRD9TAF1CECR2BRD4BCHE
SCHEMBL17754077 0.84 BRD9 (0.56) BRD9TAF1CECR2BRD4BCHE
SCHEMBL17749004 0.83 TAF1 (0.55) BRD9TAF1CECR2BRD4BCHE
SCHEMBL17753899 0.82 BRD9 (0.61) BRD9TAF1CECR2BRD4ATAD2
SCHEMBL17754174 0.81 CECR2 (0.59) BRD9TAF1CECR2BRD4ATAD2
SCHEMBL17749030 0.81 TAF1 (0.61) BRD9TAF1CECR2BRD4
SCHEMBL17753966 0.80 BRD9 (0.64) BRD9TAF1CECR2BRD4BCHE
SCHEMBL17754070 0.80 TAF1 (0.60) BRD9TAF1CECR2BRD4
SCHEMBL17753694 0.80 TAF1 (0.60) BRD9TAF1CECR2BRD4
SCHEMBL17754066 0.79 BRD9 (0.62) BRD9TAF1CECR2BRD4

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
WO-2016077375-A1 BROMODOMAIN INHIBITORS AND USES THEREOF GENENTECH, INC. (US) 2016-05-19 — — WO disclosed
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