SCHEMBL4599730

SCHEMBL4599730

O=C(Nc1ccccc1)c1ccnc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
HTT P42858 1/20 0.60
KCNK3 O14649 3/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
HPGD P15428 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.50
KCNK9 Q9NPC2 1/20 0.50

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
SCHEMBL4599781 0.87 MEN1 (0.63) HTTNPC1RAB9AMEN1KMT2A
SCHEMBL18027792 0.84 RAB9A (0.68) LMNANPC1RAB9AGAAHPGD
SCHEMBL27485178 0.84 JAK2 (0.60) HTTKCNK3NPC1RAB9AMEN1
SCHEMBL11134265 0.82 LMNA (0.64) LMNAHTTKCNK3NPC1RAB9A
SCHEMBL3369249 0.82 LMNA (0.64) LMNAHTTKCNK3NPC1RAB9A
SCHEMBL16692727 0.82 NPC1 (0.47) LMNAHTTNPC1RAB9AMEN1
SCHEMBL4600071 0.82 MAPT (0.70) LMNAHTTKCNK3RAB9AMEN1
SCHEMBL23309670 0.81 NPC1 (0.56) HTTKCNK3NPC1RAB9AMEN1
SCHEMBL15238338 0.81 LMNA (0.62) LMNAHTTKCNK3NPC1RAB9A
SCHEMBL15727556 0.81 LMNA (0.67) LMNAHTTKCNK3NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105579044-A Use of dianhydrogalactitol and analogs and derivatives thereof for treating recurrent malignant glioma or progressive secondary brain tumor DEL MAR PHARMACEUTICALS 2016-05-11 CN disclosed
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