SCHEMBL6638142

SCHEMBL6638142

Cc1ccccc1NC(=O)c1ccco1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.77
GAA P10253 2/20 0.72
KDM4E B2RXH2 1/20 0.71
PKM P14618 1/20 0.68
KMT2A Q03164 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 1/20 0.67
HTT P42858 1/20 0.67
MAPT P10636 3/20 0.66
MAPK1 P28482 2/20 0.64
MEN1 O00255 2/20 0.64
TSHR P16473 1/20 0.63
ESR2 Q92731 1/20 0.62
RECQL P46063 1/20 0.61

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
SCHEMBL23259605 0.83 PKM (0.76) ATMGAAKDM4EPKMSMN1; SMN2
SCHEMBL3589722 0.83 LCK (0.71) ATMKDM4EPKMKMT2ASMN1; SMN2
SCHEMBL23011777 0.81 PKM (0.79) ATMGAAKDM4EPKMKMT2A
SCHEMBL11150597 0.81 ATM (0.69) ATMGAAKDM4EPKMKMT2A
SCHEMBL6635707 0.81 SMN1; SMN2 (0.69) ATMGAAKDM4EKMT2ASMN1; SMN2
SCHEMBL31087262 0.81 MAPK1 (0.74) ATMGAAKDM4EPKMKMT2A
SCHEMBL28988455 0.81 ATM (0.78) ATMGAAKDM4EPKMKMT2A
SCHEMBL28857643 0.80 PKM (0.72) ATMGAAKDM4EPKMSMN1; SMN2
SCHEMBL6633552 0.80 SMN1; SMN2 (1.00) ATMGAAKDM4EKMT2ASMN1; SMN2
SCHEMBL30117825 0.80 RAB9A (0.74) ATMKDM4EKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP claimed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO claimed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO claimed
EP-1442041-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE PHARMACIA & UPJOHN COMPANY (US) 2004-08-04 EP disclosed
EP-1311505-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE ( NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ) PHARMACIA & UPJOHN COMPANY (US) 2003-05-21 EP disclosed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 WO disclosed
WO-2002015662-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002017358-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS) PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed
WO-2002016355-A2 QUINUCLIDINE-SUBSTITUTED HETEROARYL MOIETIES FOR TREATMENT OF DISEASE (NICOTINIC) ACETYLCHOLINE RECEPTOR LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-02-28 WO disclosed