SCHEMBL4599781

SCHEMBL4599781

O=C(Nc1ccc(F)cc1)c1ccnc(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
PTPN1 P18031 2/20 0.56
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MITF O75030 1/20 0.54
SNCA P37840 1/20 0.53
KCNQ3 O43525 2/20 0.52
KCNQ2 O43526 2/20 0.52
PTPN6 P29350 1/20 0.52
PTPN11 Q06124 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
GAA P10253 1/20 0.51
KCNE1 P15382 1/20 0.51
KCNQ1 P51787 1/20 0.51
BACE1 P56817 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
SCHEMBL18027792 0.88 RAB9A (0.68) NPC1RAB9AMAPTPOLBSMN1; SMN2
SCHEMBL4599730 0.87 LMNA (0.62) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL16692727 0.85 NPC1 (0.47) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL23309690 0.81 MEN1 (0.64) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL22601584 0.81 LMNA (0.80) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL29496075 0.80 GAA (0.81) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL25135733 0.79 KMT2A (0.53) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL2915371 0.79 MEN1 (0.81) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL10684470 0.77 PTPN1 (0.88) MEN1KMT2ANPC1RAB9APTPN1
SCHEMBL3973933 0.76 CES1 (0.59) KMT2ANPC1RAB9A

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
EP-1910295-A1 SUBSTITUTED PYRIDOCARBOXAMIDES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR 1 (PAI-1) Bayer HealthCare AG (DE) 2008-04-16 EP disclosed
WO-2007028456-A1 SUBSTITUTED PYRIDOCARBOXAMIDES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR 1 (PAI-1) BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed
WO-2007028456-A1 SUBSTITUTED PYRIDOCARBOXAMIDES AS INHIBITORS OF PLASMINOGEN ACTIVATOR INHIBITOR 1 (PAI-1) BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed