SCHEMBL20705289

SCHEMBL20705289

NC1CC(c2nc(C(=O)O)cs2)N(C(=O)c2cn3ccccc3n2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 16/20 0.61
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL20713633 1.00 KLKB1 (0.61) KLKB1PTGS1PTGS2TP53KDM4E
SCHEMBL20705114 0.86 KLKB1 (0.60) KLKB1
SCHEMBL20705197 0.86 KLKB1 (0.60) KLKB1
SCHEMBL20713766 0.86 KLKB1 (0.71) KLKB1
SCHEMBL20705247 0.86 KLKB1 (0.71) KLKB1
SCHEMBL22277232 0.84 KLKB1 (0.72) KLKB1
SCHEMBL20713810 0.82 PTGS1 (0.51) KLKB1PTGS1PTGS2TP53KDM4E
SCHEMBL22277235 0.80 KLKB1 (0.46) KLKB1PTGS1PTGS2TP53KDM4E
SCHEMBL20713767 0.80 KLKB1 (0.47) KLKB1PTGS1PTGS2TP53KDM4E
SCHEMBL31181741 0.78 KLKB1 (0.71) KLKB1

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-3661922-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Dyax Corp. (US) 2020-06-10 EP disclosed
WO-2019028362-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2019-02-07 WO disclosed