SCHEMBL28181763

SCHEMBL28181763

CCCC(N)CNC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NAAA Q02083 1/20 0.51
GAA P10253 2/20 0.50
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
ITGAV P06756 1/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL28472074 0.89 NAAA (0.59) NPC1RAB9ASMN1; SMN2NAAAGAA
SCHEMBL27993602 0.88 NAAA (0.61) NPC1RAB9ASMN1; SMN2NAAAGAA
SCHEMBL10872706 0.87 RAB9A (0.56) NPC1RAB9ASMN1; SMN2NAAAGAA
SCHEMBL28856753 0.86 EPHX2 (0.59) NPC1RAB9ASMN1; SMN2NAAAGAA
SCHEMBL13885360 0.84 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL20214202 0.82 ACACB (0.48) SMN1; SMN2GAAKMT2AHSD17B10LMNA
SCHEMBL23911908 0.82 RAB9A (0.54) NPC1RAB9ASMN1; SMN2NAAAGAA
SCHEMBL1769658 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2GAAEPHX2
SCHEMBL12471405 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2NAAAGAA
SCHEMBL16613793 0.81 RAB9A (0.53) NPC1RAB9ASMN1; SMN2NAAAGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107325019-B Aryl amine benzamide compound and N- aryl-aryl amine benzamide compound preparation method 石河子大学 2019-11-22 CN disclosed
CN-107325019-A The preparation method of aryl amine benzamide compound and N aryl aryl amine benzamide compounds 石河子大学 2017-11-07 CN disclosed