SCHEMBL9199871

SCHEMBL9199871

COCCOC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 9/20 0.49
MEN1 O00255 6/20 0.49
POLB P06746 4/20 0.48
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
TDP1 Q9NUW8 2/20 0.48

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
SCHEMBL9196878 0.92 MAPK1 (0.52) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9199898 0.91 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9200225 0.90 MAPK1 (0.50) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9196919 0.90 MAPK1 (0.58) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9196863 0.90 MAPK1 (0.49) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9198223 0.85 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL29456993 0.85 MAPK1 (0.55) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9206336 0.83 MAPK1 (0.64) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9200751 0.83 KMT2A (0.50) MAPK1HSD17B10KMT2AMEN1POLB
SCHEMBL9199116 0.82 KMT2A (0.48) MAPK1HSD17B10KMT2AMEN1POLB

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
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed