SCHEMBL7430945

SCHEMBL7430945

N=C(NO)c1cccc(Oc2ccc3cc(C(=O)O)c(=O)n(Cc4ccc5ccc(C(=N)NO)cc5c4)c3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.51
F10 P00742 8/20 0.51
PRSS1 P07477 8/20 0.51
P2RX3 P56373 9/20 0.39
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RHEB Q15382 1/20 0.36
CCR3 P51677 1/20 0.36

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
SCHEMBL7427295 0.89 F10 (0.64) F2F10PRSS1
SCHEMBL7426338 0.83 F10 (0.61) F2F10PRSS1
SCHEMBL7428858 0.79 F10 (0.59) F2F10PRSS1
SCHEMBL7427330 0.75 F10 (0.67) F2F10PRSS1
SCHEMBL7426629 0.73 F10 (0.48) F2F10PRSS1
SCHEMBL7432329 0.72 F10 (0.61) F2F10PRSS1
SCHEMBL7431654 0.71 F10 (0.58) F2F10PRSS1
SCHEMBL7427399 0.71 F10 (0.65) F2F10PRSS1
SCHEMBL7429295 0.70 F10 (0.59) F2F10PRSS1
SCHEMBL7420509 0.69 F10 (0.68) F2F10PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1107954-A1 2-OXO-$i(2H)-QUINOLINE DERIVATIVES MERCK PATENT GmbH (DE) 2001-06-20 EP disclosed
WO-2000012479-A1 2-OXO-2H-QUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2000-03-09 WO disclosed