SCHEMBL5290390

SCHEMBL5290390

BrCC1(CBr)C=Cc2ccccc2C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34

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
SCHEMBL30274390 0.81 CA1 (0.33) PARP1CA1CA2
SCHEMBL29921089 0.75 PARP1 (0.36) PARP1CA1CA2
SCHEMBL15345381 0.74 HTR2A (0.37) PARP1CA1CA2
SCHEMBL2288761 0.74 PARP1 (0.39) PARP1CA1CA2
SCHEMBL7159531 0.73 ALDH1A1 (0.37)
SCHEMBL9861975 0.72 PARP1 (0.34) PARP1CA1CA2
SCHEMBL2151230 0.72 PARP1 (0.34) PARP1CA1CA2
SCHEMBL15940564 0.72 PARP1 (0.34) PARP1CA1CA2
SCHEMBL5133900 0.72 PARP1 (0.34) PARP1CA1CA2
SCHEMBL1697644 0.71 PARP1 (0.36) PARP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3060915-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME Mologic Limited (GB) 2016-08-31 EP claimed
WO-2015059487-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME MOLOGIC LIMITED (GB) 2015-04-30 WO claimed
EP-3928100-A1 TREATMENT STRATIFICATION FOR AN EXACERBATION OF INFLAMMATION Mologic Limited (GB) 2021-12-29 EP disclosed
EP-3707509-A1 MONITORING INFLAMMATION STATUS Mologic Limited (GB) 2020-09-16 EP disclosed
EP-3111226-A1 MONITORING INFLAMMATION STATUS Mologic Limited (GB) 2017-01-04 EP disclosed
EP-3060915-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME Mologic Limited (GB) 2016-08-31 EP disclosed
WO-2015128681-A1 MONITORING INFLAMMATION STATUS MOLOGIC LIMITED (GB) 2015-09-03 WO disclosed
WO-2015059487-A2 DETECTION OF CLEAVAGE ACTIVITY OF AN ENZYME MOLOGIC LIMITED (GB) 2015-04-30 WO disclosed
WO-2006103342-A9 INDANYL-PIPERAZINE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2007-10-25 WO disclosed