SCHEMBL5032471

SCHEMBL5032471

Cc1ccc2c(c1)nc(NC(=O)c1ccc([N+](=O)[O-])cc1)n2C

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 6/20 0.55
KMT2A Q03164 2/20 0.55
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 2/20 0.53
MMP13 P45452 2/20 0.53
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ITK Q08881 1/20 0.49
MAPT P10636 4/20 0.48
IRAK4 Q9NWZ3 2/20 0.47
MEN1 O00255 1/20 0.46
P2RY14 Q15391 1/20 0.46

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
SCHEMBL28958918 0.76 RAB9A (0.62) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL130860 0.76 KDM4E (0.57) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL13594627 0.74 IRAK4 (0.76) ITKIRAK4
SCHEMBL28642017 0.74 NPC1 (0.58) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL30533209 0.74 NPC1 (0.58) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL4976545 0.73 NPC1 (0.50) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL31474751 0.72 HTT (0.71) RAB9ANPC1KMT2AHTTSMN1; SMN2
SCHEMBL5097531 0.72 IRAK4 (0.69) ITKIRAK4
SCHEMBL14075220 0.72 MEN1 (0.71) KMT2AHTTSMN1; SMN2MAPTMEN1
SCHEMBL209281 0.72 ALDH1A1 (0.54) RAB9ANPC1KMT2AHTTMAPT

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-1534275-B1 ACYLAMINO-SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 EP disclosed