SCHEMBL18904014

SCHEMBL18904014

Cc1noc(C)c1N[SH](=O)=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
BRD4 O60885 5/20 0.32
BRD2 P25440 2/20 0.32
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4554973 0.72
SCHEMBL18884406 0.70
SCHEMBL20016686 0.70
SCHEMBL27551772 0.70 ROCK1 (0.31)
SCHEMBL3599701 0.70 BRD4 (0.46) KMT2ABRD4BRD2ALDH1A1L3MBTL1
SCHEMBL1758424 0.70 BRD4 (0.38) KMT2ABRD4BRD2ALDH1A1L3MBTL1
SCHEMBL8260822 0.68 RIPK1 (0.44) KMT2ABRD4BRD2ALDH1A1L3MBTL1
SCHEMBL18904135 0.67 BRD4 (0.33) KMT2ABRD4BRD2ALDH1A1L3MBTL1
SCHEMBL2191777 0.67 BRD4 (0.42) KMT2ABRD4BRD2ALDH1A1L3MBTL1
SCHEMBL27424284 0.67 NPC1 (0.31) ALDH1A1

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
EP-2980076-B1 Pyrazolyl derivatives UNIV DUNDEE (GB) 2017-05-31 EP disclosed
CN-1193963-A Aromatic compounds and pharmaceutical compositions containing them ZENECA LTD (GB) 1998-09-23 CN disclosed