SCHEMBL8625913

SCHEMBL8625913

CCCCOC(=O)CNC(=O)c1nc2ccc(OCCCC)cc2cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 4/20 0.48
HSP90AA1 P07900 2/20 0.48
PLA2G2D Q9UNK4 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
POLB P06746 1/20 0.42
LTA4H P09960 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 2/20 0.40
TDP1 Q9NUW8 2/20 0.40

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
SCHEMBL8630512 0.95 MTNR1A (0.44) KMT2AMEN1HSP90AA1PLA2G2DL3MBTL1
SCHEMBL6567159 0.95 PLA2G2D (0.47) KMT2AMEN1HSP90AA1PLA2G2DL3MBTL1
SCHEMBL27464666 0.94 KMT2A (0.47) KMT2AMEN1HSP90AA1L3MBTL1EGFR
SCHEMBL6565681 0.92 L3MBTL1 (0.44) KMT2AMEN1HSP90AA1L3MBTL1NPC1
SCHEMBL6565058 0.91 KMT2A (0.47) KMT2AMEN1HSP90AA1L3MBTL1POLB
SCHEMBL6567471 0.85 KMT2A (0.48) KMT2AMEN1HSP90AA1L3MBTL1POLB
SCHEMBL8629309 0.85 MEN1 (0.53) KMT2AMEN1HSP90AA1PLA2G2DPPARG
SCHEMBL8630494 0.85 SMN1; SMN2 (0.51) KMT2AMEN1HSP90AA1L3MBTL1MAPT
SCHEMBL8629057 0.84 MEN1 (0.52) KMT2AMEN1HSP90AA1PLA2G2DPPARG
SCHEMBL8630299 0.82 PLA2G2D (0.50) KMT2AMEN1HSP90AA1PLA2G2D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1120157-C Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof FIBER GENE CORP (US) 2003-09-03 CN disclosed
CN-1282737-A Intermediate product used for preparing substituted quinoline-2-formamide MOECHST AG (DE) 2001-02-07 CN disclosed
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
CN-1154365-A Substituted quinoline-2-carboxamides, process for their preparation and their use as pharmaceuticals, and intermediates thereof HOECHST AG (DE) 1997-07-16 CN disclosed