SCHEMBL9320188

SCHEMBL9320188

Cn1c(=O)ccc2cc(CN)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 9/20 0.62
BRD4 O60885 3/20 0.50
BRD9 Q9H8M2 3/20 0.50
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
KAT2B Q92831 1/20 0.50
ALOX5 P09917 9/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
BRD1 O95696 2/20 0.43
BRPF3 Q9ULD4 1/20 0.43
CYP2D6 P10635 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL763370 0.84 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL9411117 0.83 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL4408021 0.83 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL13886419 0.81 BRPF1 (0.56) BRPF1BRD4BRD9CA12CA9
SCHEMBL17979482 0.81 BRPF1 (0.41) BRPF1CA12CA9ALOX5CA1
SCHEMBL14518794 0.80 BRPF1 (0.54) BRPF1BRD4BRD9CA12CA9
SCHEMBL13886461 0.78 BRPF1 (0.51) BRPF1BRD4BRD9CA12CA9
SCHEMBL7085783 0.77 BRPF1 (1.00) BRPF1BRD4BRD9CA12CA9
SCHEMBL12804294 0.75 MEN1 (0.55) CYP2D6
SCHEMBL21074449 0.74 ASIC3 (0.42) BRPF1CA12CA9CA1CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5350765-A Treatment of allergic and inflammatory diseases ABBOTT LABORATORIES (US) 1994-09-27 US disclosed
WO-1994004528-A1 ETHER-CONTAINING INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-03-03 WO disclosed
US-5268379-A Quinolin-1-one structure ABBOTT LABORATORIES (US) 1993-12-07 US disclosed