SCHEMBL4744577

SCHEMBL4744577

CN(Cc1ccc(CNC(=O)Nc2ccccc2)cc1)c1ccccn1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NAMPT P43490 6/20 0.54
POLB P06746 1/20 0.53
MAOB P27338 1/20 0.53
KDR P35968 1/20 0.53
LSS P48449 1/20 0.51
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL4743411 0.86 ALDH1A1 (0.51) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL14024992 0.77 RAB9A (0.63) RAB9ANPC1HTTMEN1TP53
SCHEMBL8283845 0.77 ALDH1A1 (0.62) MEN1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL4747138 0.76 CHRM2 (0.63) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4744580 0.75 RAB9A (0.77) RAB9ANPC1HTTMEN1TP53
SCHEMBL2831462 0.74 NPC1 (0.77) RAB9ANPC1HTTMEN1TP53
SCHEMBL1474021 0.74 ALDH1A1 (0.65) RAB9ANPC1HTTMEN1HPGD
SCHEMBL13720058 0.73 NPC1 (1.00) RAB9ANPC1HTTMEN1TP53
SCHEMBL11616834 0.73 HTT (1.00) RAB9ANPC1HTTMEN1TP53
SCHEMBL4787428 0.73 ROCK2 (0.64) RAB9ANPC1HTTMEN1TP53

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-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 WO disclosed