SCHEMBL13068698

SCHEMBL13068698

O=C(Cc1ccccc1)Nn1c(SCc2cccc(F)c2)nc2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.66
RAB9A P51151 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 6/20 0.55
HTT P42858 2/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
USP2 O75604 1/20 0.54
PLA2G1B P04054 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
NPC1 O15118 2/20 0.52

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
SCHEMBL13283032 0.91 L3MBTL1 (0.57) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13282985 0.90 NPSR1 (0.63) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13068697 0.90 NPSR1 (0.68) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13282912 0.87 L3MBTL1 (0.65) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL3380657 0.87 NPSR1 (0.58) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13283030 0.85 L3MBTL1 (0.63) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13282909 0.84 NPSR1 (0.55) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13283031 0.84 RAB9A (0.55) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL13068744 0.83 NPSR1 (0.67) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2
SCHEMBL3378392 0.82 NPSR1 (0.66) NPSR1RAB9AL3MBTL1LMNASMN1; SMN2

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