SCHEMBL3328295

SCHEMBL3328295

Brc1ccc(OCI)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.52
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
DRD4 P21917 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
MAPT P10636 1/20 0.41
MAOB P27338 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
LTA4H P09960 1/20 0.40
PTGS2 P35354 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 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
SCHEMBL1471773 0.80 KDM4E (0.48) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL6557649 0.78 MAOB (0.57) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL6059021 0.78 APP (0.50) APPKDM4EALDH1A1CYP2A6DRD4
SCHEMBL18235025 0.76 DRD4 (0.57) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL9080991 0.76 APP (0.48) APPKDM4EALDH1A1CYP2A6DRD4
SCHEMBL17445905 0.76 ATM (0.60) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL7533336 0.76 APP (0.58) APPRXRARXRBCA1CA2
SCHEMBL2642306 0.75 KDM4E (0.48) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL11563384 0.75 ATM (0.50) APPKDM4EALDH1A1DRD4DRD2
SCHEMBL13472002 0.75 ATM (0.50) APPKDM4EALDH1A1DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120321533-A1 CATALYST ALMQVIST FREDRIK (SE) 2012-12-20 US disclosed
US-20100119424-A1 CATALYST ALMQUEST AB (SE) 2010-05-13 US disclosed
CN-101678330-A Process for the production of palladium supported catalysts for catalyzing heck, suzuki-miyaura sonogashira coupling and buchwald-hartwig reactions NORDIC CHEMQUEST AKTIEBOLAG 2010-03-24 CN disclosed
EP-2152410-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS Nordic chemquest Aktiebolag (SE) 2010-02-17 EP disclosed
EP-1994983-A1 Catalyst containing covalently bonded formate groups and Pd(0) and process for its obtention Almquest AB (SE) 2008-11-26 EP disclosed
WO-2008138938-A2 PROCESS FOR THE PRODUCTION OF PALLADIUM SUPPORTED CATALYSTS FOR CATALYZING HECK, SUZUKI-MIYAURA SONOGASHIRA COUPLING AND BUCHWALD-HARTWIG REACTIONS NORDIC CHEMQUEST AB (SE) 2008-11-20 WO disclosed