SCHEMBL6289429

SCHEMBL6289429

N=C(N)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(Br)c3O)cc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 11/20 1.00
▸ F10 P00742 11/20 1.00
▸ PRSS1 P07477 11/20 1.00
▸ PLG P00747 10/20 1.00
▸ PLAU P00749 10/20 1.00
▸ PLAT P00750 8/20 1.00
▸ F7 P08709 9/20 0.61
▸ F3 P13726 6/20 0.61
▸ PRSS2 P07478 3/20 0.58
▸ PRSS3 P35030 3/20 0.58
▸ HPN P05981 2/20 0.53
▸ ST14 Q9Y5Y6 2/20 0.53
▸ ASIC3 Q9UHC3 1/20 0.51
▸ KLKB1 P03952 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
SCHEMBL6290117 0.83 F2 (1.00) F2F10PRSS1PLGPLAU
SCHEMBL6289478 0.82 F2 (0.76) F2F10PRSS1PLGPLAU
SCHEMBL29941378 0.81 F2 (1.00) F2F10PRSS1PLGPLAU
SCHEMBL6290381 0.81 F2 (1.00) F2F10PRSS1PLGPLAU
SCHEMBL6292953 0.78 F2 (0.70) F2F10PRSS1PLGPLAU
SCHEMBL6293507 0.77 F7 (0.76) F2F10PRSS1PLGPLAU
SCHEMBL7611551 0.72 F7 (0.77) F2F10PRSS1PLGPLAU
SCHEMBL6289154 0.71 F2 (0.78) F2F10PRSS1PLGPLAU
SCHEMBL6289508 0.71 HPN (0.63) F2F10PRSS1PLGPLAU
SCHEMBL6389292 0.71 F7 (1.00) F2F10PRSS1PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 — — US claimed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 — — EP claimed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 — — WO claimed
US-6867200-B1 (Hetero)aryl-bicyclic heteroaryl derivatives, their preparation and their use as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-15 — — US disclosed
EP-1140859-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-10-10 — — EP disclosed
WO-2000035886-A2 (HETERO)ARYL-BICYCLIC HETEROARYL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-06-22 — — WO disclosed
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