SCHEMBL10693046

SCHEMBL10693046

Nc1cccc2c1C(=O)N(C(CS)C(=O)O)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
KDM4E B2RXH2 6/20 0.48
POLB P06746 3/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TNF P01375 1/20 0.46
PABPC1 P11940 2/20 0.44
HSPA1A P0DMV8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
AADAT Q8N5Z0 1/20 0.42

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
SCHEMBL6257316 0.86 KDM4E (0.51) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL2169473 0.84 TNF (0.50) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL6261277 0.83 ALDH1A1 (0.72) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL31259788 0.83 ALDH1A1 (0.47) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL4903634 0.83 ALDH1A1 (0.68) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL7423088 0.83 ALDH1A1 (0.68) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL2168383 0.82 KMT2A (0.61) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL29790446 0.82 KMT2A (0.61) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL672662 0.82 KMT2A (0.61) ALDH1A1GAAKDM4EPOLBMAPK1
SCHEMBL31259805 0.82 TNF (0.46) ALDH1A1GAAKDM4EPOLBMAPK1

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