SCHEMBL28752153

SCHEMBL28752153

NCCc1csc(NNC(=O)O)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.52
MAPT P10636 7/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRB2 P47870 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL27534104 0.85 MAPT (0.42) AOC3MAPTKMT2AMEN1POLB
SCHEMBL27583346 0.82 AOC3 (0.46) AOC3MAPTKMT2AMEN1POLB
SCHEMBL28742119 0.78 MAPT (0.40) AOC3MAPTKMT2AMEN1POLB
SCHEMBL9382083 0.72 AOC3 (0.48) AOC3MAPTKMT2AMEN1POLB
SCHEMBL17674539 0.72 SMN1; SMN2 (0.50) AOC3KMT2AMEN1POLBSMN1; SMN2
SCHEMBL9385942 0.72 CSNK2A1 (0.58) AOC3MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL6495932 0.72 AOC3 (0.54) AOC3KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL27646804 0.72 AOC3 (0.53) AOC3ALDH1A1MAOB
SCHEMBL27564949 0.71 KMT2A (0.40) AOC3MAPTKMT2AMEN1POLB
SCHEMBL3612370 0.71 SMN1; SMN2 (0.49) AOC3KMT2AMEN1POLBSMN1; SMN2

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
CN-1478077-A Benzamide compounds as APO B secretion inhibitors ����ҩƷ��ҵ��ʽ���� 2004-02-25 CN disclosed