SCHEMBL10696021

SCHEMBL10696021

Nc1ccc2c(c1)C(=O)N(C(CS)C(=O)O)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
HSD17B10 Q99714 3/20 0.50
GAA P10253 2/20 0.50
CASP1 P29466 2/20 0.50
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP2D6 P10635 2/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
TNF P01375 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
SCHEMBL6449093 0.82 HSD17B10 (0.71) MEN1KMT2AHSD17B10GAACASP1
SCHEMBL6449101 0.82 HSD17B10 (0.71) MEN1KMT2AHSD17B10GAACASP1
SCHEMBL7423088 0.82 ALDH1A1 (0.68) KMT2AHSD17B10GAAALDH1A1L3MBTL1
SCHEMBL4903634 0.82 ALDH1A1 (0.68) KMT2AHSD17B10GAAALDH1A1L3MBTL1
SCHEMBL12643501 0.81 ALDH1A1 (0.76) MEN1KMT2AGAAALDH1A1L3MBTL1
SCHEMBL10693046 0.77 ALDH1A1 (0.49) MEN1KMT2AHSD17B10GAAALDH1A1
SCHEMBL24291419 0.75 MEN1 (0.47) MEN1KMT2AHSD17B10GAACASP1
Trifluoroacetic Acid SCHEMBL10431490 0.75 ALDH1A1 (0.61) KMT2AHSD17B10GAAALDH1A1L3MBTL1
SCHEMBL21308231 0.73 MEN1 (0.45) MEN1KMT2AHSD17B10GAACASP1
SCHEMBL27321335 0.72 ALDH1A1 (0.53) MEN1KMT2AHSD17B10GAACASP1

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
US-4754024-A Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups CIBA-GEIGY CORPORATION 1988-06-28 US disclosed