SCHEMBL8628366

SCHEMBL8628366

CC(=O)c1nc2ccc(OC(C)C)cc2cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
MEN1 O00255 1/20 0.47
HSP90AA1 P07900 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
STAT3 P40763 1/20 0.44
HTT P42858 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
HDAC8 Q9BY41 1/20 0.43
EDNRA P25101 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGDR Q13258 1/20 0.42
LMNA P02545 1/20 0.41
GCK P35557 1/20 0.41

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
SCHEMBL8629707 0.92 MCL1 (0.51) MCL1MEN1HSP90AA1KMT2AMAOB
SCHEMBL6567304 0.88 HDAC8 (0.56) MEN1HSP90AA1KMT2AMAOBSMN1; SMN2
SCHEMBL8629057 0.85 MEN1 (0.52) MEN1HSP90AA1KMT2AMAOBSMN1; SMN2
SCHEMBL8628372 0.85 MEN1 (0.52) MEN1HSP90AA1KMT2AMAOBSMN1; SMN2
SCHEMBL6565684 0.83 SMN1; SMN2 (0.63) MEN1KMT2AMAOBSMN1; SMN2STAT3
SCHEMBL6567471 0.83 KMT2A (0.48) MCL1MEN1HSP90AA1KMT2AL3MBTL1
SCHEMBL6564087 0.83 PLA2G2D (0.49) MEN1HSP90AA1KMT2AMAOBHDAC8
SCHEMBL8627840 0.83 KMT2A (0.52) MEN1HSP90AA1KMT2AMAOBSMN1; SMN2
SCHEMBL6564097 0.83 HDAC8 (0.50) MEN1HSP90AA1KMT2AMAOBSMN1; SMN2
SCHEMBL8628854 0.82 HTT (0.49) SMN1; SMN2STAT3HTTL3MBTL1MAPT

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
US-5726305-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-10 US disclosed
US-5719164-A Substituted quinoline-2-carboxamides, their preparation and their use as pharmaceuticals, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-17 US disclosed