SCHEMBL2352983

SCHEMBL2352983

CSCCCNC(=O)c1ccc2[nH]cnc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
POLB P06746 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
HDAC6 Q9UBN7 2/20 0.45
NAMPT P43490 3/20 0.44
CASP6 P55212 1/20 0.43
HDAC1 Q13547 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL2352195 0.93 HTT (0.56) HTTPOLBL3MBTL1TDP1NPC1
SCHEMBL30265382 0.90 HTT (0.67) HTTPOLBL3MBTL1TDP1NPC1
SCHEMBL13373316 0.86 HTT (0.57) HTTPOLBL3MBTL1TDP1HDAC6
SCHEMBL31047555 0.84 EPHX1 (0.58) HTTPOLBL3MBTL1TDP1HDAC6
SCHEMBL31047594 0.84 EPHX1 (0.58) HTTPOLBL3MBTL1TDP1HDAC6
SCHEMBL2352590 0.84 HTT (0.54) HTTPOLBL3MBTL1TDP1HDAC6
SCHEMBL30265252 0.82 HTT (0.70) HTTPOLBL3MBTL1TDP1NPC1
SCHEMBL6783835 0.82 HTT (0.53) HTTPOLBL3MBTL1TDP1HDAC6
SCHEMBL2356085 0.82 HTT (0.53) HTTPOLBL3MBTL1TDP1HDAC6
SCHEMBL396107 0.82 POLB (0.53) HTTPOLBL3MBTL1TDP1NPC1

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
WO-2011103018-A1 SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HIGH POINT PHARMACEUTICALS, LLC (US) 2011-08-25 WO disclosed