SCHEMBL8627079

SCHEMBL8627079

Oc1cc(Br)cc2[nH]nnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD1 Q96L73 1/20 0.37
DYRK1A Q13627 1/20 0.34
LMNA P02545 1/20 0.34
PRNP P04156 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
IDO1 P14902 1/20 0.32
TDO2 P48775 1/20 0.32
ERCC1 P07992 1/20 0.31
ERCC4 Q92889 1/20 0.31
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
PRKACA P17612 1/20 0.31
PRKACG P22612 1/20 0.31
PRKACB P22694 1/20 0.31
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL6051981 0.79 ESR1 (0.34)
SCHEMBL13604198 0.79 PRNP (0.36) DYRK1ALMNAPRNPHPGDHTT
SCHEMBL9172800 0.78 ESR1 (0.33)
SCHEMBL166351 0.76 ALDH1A1 (0.35) HPGDHTTIDO1CYP3A4TSHR
SCHEMBL30161793 0.76 DYRK1A (0.34) DYRK1AIDO1TDO2
SCHEMBL20699401 0.76 DYRK1A (0.34) DYRK1AIDO1TDO2
Water SCHEMBL2477029 0.74 ALDH1A1 (0.34) HPGDHTTIDO1CYP3A4TSHR
SCHEMBL3443090 0.73 CA12 (0.47) LMNAHPGDCYP3A4TSHRTDP1
SCHEMBL8628226 0.72 CYP3A4 (0.44) HPGDCYP3A4
SCHEMBL5243865 0.72 METAP2 (0.35) NPSR1IDO1TDO2CYP3A4TSHR

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
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP claimed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO claimed
EP-2655527-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS ALLNEX AUSTRIA GmbH (AT) 2013-10-30 EP disclosed
WO-2012085016-A1 PROCESS FOR CURING SURFACE-COATING COMPOSITIONS CYTEC AUSTRIA GMBH (AT) 2012-06-28 WO disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed