SCHEMBL7989809

SCHEMBL7989809

N=C(N)c1cccc(C(=O)NCc2ccc(OCCCCCCCOc3ccc(CNC(=O)c4cccc(C(=N)N)c4)cc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 7/20 0.57
F10 P00742 3/20 0.55
F2 P00734 2/20 0.53
LOX P28300 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.53
PRMT1 Q99873 2/20 0.51
PLAU P00749 1/20 0.51
ST14 Q9Y5Y6 1/20 0.51
PRMT5 O14744 1/20 0.51

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
SCHEMBL7425136 1.00 PRSS1 (0.57) PRSS1F10F2LOXLOXL2
SCHEMBL7986197 1.00 PRSS1 (0.57) PRSS1F10F2LOXLOXL2
SCHEMBL7392566 0.99 F10 (0.56) PRSS1F10F2LOXLOXL2
SCHEMBL7972021 0.96 F10 (0.56) PRSS1F10F2LOXLOXL2
SCHEMBL7983619 0.95 F10 (0.57) PRSS1F10F2LOXLOXL2
SCHEMBL7972008 0.93 F10 (0.62) PRSS1F10F2LOXLOXL2
Hydrochloric Acid SCHEMBL5092926 0.92 LOX (0.55) PRSS1F10F2LOXLOXL2
SCHEMBL7420039 0.89 PRSS1 (0.63) PRSS1F10F2
SCHEMBL7427347 0.87 PRMT1 (0.65) PRSS1F10F2PRMT1PLAU
SCHEMBL7989663 0.87 PRMT1 (0.65) PRSS1F10F2PRMT1PLAU

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-6221914-B1 ANTIINFLAMMATORY AGENTS ARRAY BIOPHARMA INC. 2001-04-24 US disclosed