SCHEMBL4743393

SCHEMBL4743393

O=C(O)NCc1ccc(NC(=O)NCc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.73
RAB9A P51151 6/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MEN1 O00255 1/20 0.73
TP53 P04637 1/20 0.73
HPGD P15428 1/20 0.73
KMT2A Q03164 1/20 0.73
POLB P06746 1/20 0.69
MAOB P27338 1/20 0.69
PTPN1 P18031 1/20 0.69
MAPT P10636 2/20 0.68
CA2 P00918 3/20 0.66
CA1 P00915 2/20 0.66
RORC P51449 2/20 0.66
CA12 O43570 1/20 0.66
CA9 Q16790 1/20 0.66
ROCK2 O75116 1/20 0.66
ROCK1 Q13464 1/20 0.66
NAMPT P43490 1/20 0.65
HTT P42858 1/20 0.64

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
SCHEMBL4744610 0.90 NPC1 (0.69) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL2831462 0.89 NPC1 (0.77) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL3461361 0.88 CA2 (0.68) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL5853157 0.88 NPC1 (0.88) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL4743832 0.87 CA2 (0.67) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL13185536 0.87 POLB (0.70) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL10133206 0.86 ROCK2 (0.80) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL14025738 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL22588922 0.86 NPC1 (0.68) NPC1RAB9ASMN1; SMN2MEN1TP53
SCHEMBL17000091 0.86 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MEN1TP53

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