SCHEMBL8628255

SCHEMBL8628255

Oc1c(Br)cc2[nH]nnc2c1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
NQO2 P16083 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
GPR35 Q9HC97 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
AKR1B1 P15121 1/20 0.32
PTPN1 P18031 1/20 0.32
TTR P02766 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRA2 P47869 1/20 0.30
GABRB2 P47870 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL5702615 0.75 ERN1 (0.39) CA1CA2GPR35TDP1CYP3A4
SCHEMBL5702768 0.75 GPR35 (0.44) ADORA2ANQO2GPR35MEN1KMT2A
SCHEMBL5702764 0.71 KDM4E (0.34) NQO2TDP1KDM4EMEN1USP2
SCHEMBL1019380 0.71 CYP1A2 (0.32) MEN1KMT2A
SCHEMBL1681720 0.69
SCHEMBL13604198 0.69 PRNP (0.36) NQO2GPR35TDP1CYP3A4TSHR
SCHEMBL29273452 0.69 BCL2 (0.35)
SCHEMBL22965656 0.67 AMY1A (0.36) HTT
SCHEMBL5440650 0.67 GRM2 (0.34)
SCHEMBL5702709 0.67 ADORA3 (0.35) ADORA3ADORA2ACA1CA2TSHR

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