SCHEMBL13201004

SCHEMBL13201004

O=C(Nc1ccccc1)c1ccc2sccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.71
HDAC1 Q13547 1/20 0.60
CTNNB1 P35222 1/20 0.58
WNT3A P56704 1/20 0.58
PLAU P00749 2/20 0.57
F2 P00734 1/20 0.55
PLG P00747 1/20 0.55
PLAT P00750 1/20 0.55
KLKB1 P03952 1/20 0.55
KLK1 P06870 1/20 0.55
PRSS1 P07477 1/20 0.55
BRAF P15056 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
GAA P10253 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
PTPN1 P18031 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
SCHEMBL14879972 0.79 HDAC8 (0.59) NAMPTHDAC1CTNNB1WNT3AHDAC2
SCHEMBL22275525 0.78 CTNNB1 (0.69) NAMPTCTNNB1WNT3AMEN1KMT2A
SCHEMBL2467402 0.77 PLAU (0.78) PLAUF2PLGPLATKLKB1
SCHEMBL2273546 0.77 ACLY (0.58) NAMPTHDAC1CTNNB1WNT3AMEN1
SCHEMBL573187 0.77 CTNNB1 (0.63) NAMPTCTNNB1WNT3ANPC1RAB9A
SCHEMBL30489890 0.77 CTNNB1 (0.63) NAMPTCTNNB1WNT3ANPC1RAB9A
SCHEMBL8383166 0.77 NPC1 (0.56) NAMPTMEN1KMT2ANPC1RAB9A
SCHEMBL14111908 0.76 PLAU (0.76) PLAUF2PLGPLATKLKB1
SCHEMBL8292358 0.75 HDAC1 (1.00) HDAC1PLAUNPC1RAB9AALDH1A1
SCHEMBL1315526 0.74 PTPN1 (0.87) HDAC1MEN1KMT2ANPC1RAB9A

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
US-7767670-B2 Substituted 3-carboxamido isoxazoles as kinase modulators AMBIT BIOSCIENCES CORPORATION (US) 2010-08-03 US disclosed