SCHEMBL9690761

SCHEMBL9690761

CNc1ccc(NCO)c2c1C(=O)c1ccccc1C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
MAPK1 P28482 5/20 0.57
L3MBTL1 Q9Y468 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
EGFR P00533 2/20 0.57
PABPC1 P11940 1/20 0.57
TOP2B Q02880 1/20 0.56
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
POLB P06746 3/20 0.54
BLM P54132 3/20 0.54
NSD2 O96028 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 2/20 0.50
MTOR P42345 1/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
TERT O14746 4/20 0.44
LMNA P02545 3/20 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
SCHEMBL29374910 0.87 TOP2B (0.70) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL23404 0.87 TOP2B (0.70) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL29670831 0.87 TOP2B (0.70) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL55230 0.86 MAPT (0.74) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL29358770 0.86 MAPT (0.74) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL29419222 0.86 MAPT (0.74) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL21300705 0.85 MAPT (0.59) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL20710632 0.84 TOP2B (0.62) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL8947726 0.83 TOP2B (0.74) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2
SCHEMBL20333928 0.83 MAPT (0.50) MAPTMAPK1L3MBTL1RAB9ASMN1; SMN2

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-5112359-A Diaminoanthraquinone dyes for hair dyes with carriers and water CLAIROL, INC. (US) 1992-05-12 US claimed