SCHEMBL8934604

SCHEMBL8934604

C=C(c1ccc([N+](=O)[O-])cc1)c1csc(NC(C)=O)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
MAPT P10636 6/20 0.47
LMNA P02545 3/20 0.47
DYRK1A Q13627 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL9845155 0.85 RAB9A (0.62) RAB9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9621679 0.77 RAB9A (1.00) RAB9AMEN1KMT2ACSNK2A2CSNK2B
SCHEMBL21382353 0.74 RAB9A (0.64) RAB9AMEN1KMT2ACSNK2A2CSNK2B
SCHEMBL13409103 0.74 RAB9A (0.64) RAB9AMEN1KMT2AALDH1A1CSNK2A2
SCHEMBL3932546 0.73 RAB9A (0.62) RAB9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4875352 0.73 RAB9A (0.62) RAB9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3932557 0.73 RAB9A (0.62) RAB9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9845157 0.72 RAB9A (0.61) RAB9AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9047133 0.71 RAB9A (0.60) RAB9AMEN1KMT2AALDH1A1CSNK2A2
SCHEMBL3931075 0.71 AOC3 (0.64) RAB9AMEN1KMT2ACSNK2A2CSNK2B

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-1996030350-A1 AMIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-03 WO disclosed