SCHEMBL13068697

SCHEMBL13068697

O=C(Cc1ccccc1)Nn1c(SCc2ccc(F)cc2)nc2ccccc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.68
LMNA P02545 6/20 0.65
RAB9A P51151 4/20 0.65
USP2 O75604 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PDE7A Q13946 1/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 3/20 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
SCHEMBL3378392 0.91 NPSR1 (0.66) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13068698 0.90 NPSR1 (0.66) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13282909 0.88 NPSR1 (0.55) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13283029 0.85 RAB9A (0.60) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13068744 0.84 NPSR1 (0.67) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13282913 0.84 NPSR1 (0.61) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13283035 0.84 RAB9A (0.59) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13282908 0.82 NPSR1 (0.54) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13282985 0.82 NPSR1 (0.63) NPSR1LMNARAB9AUSP2L3MBTL1
SCHEMBL13283031 0.81 RAB9A (0.55) NPSR1LMNARAB9AUSP2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1585522-B1 QUINAZOLINONES AS POTASSIUM CHANNEL MODULATORS ICAGEN INC (US) 2010-11-17 EP disclosed