SCHEMBL5644680

SCHEMBL5644680

CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ERCC1 P07992 1/20 0.44
ERCC4 Q92889 1/20 0.44
PYCR1 P32322 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
NLRP1 Q9C000 1/20 0.41
NR4A2 P43354 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL5642176 0.91 ERCC1 (0.48) POLBERCC1ERCC4PYCR1CRHBP
SCHEMBL5643090 0.87 CRHBP (0.47) POLBERCC1ERCC4PYCR1CRHBP
SCHEMBL5644728 0.86 POLB (0.45) POLBPYCR1SLC6A2SLC6A4HTT
SCHEMBL5643681 0.86 ERCC1 (0.44) POLBERCC1ERCC4PYCR1CRHBP
SCHEMBL5644342 0.86 SLC6A2 (0.55) ERCC1ERCC4PYCR1CRHBPCRHR2
SCHEMBL5642804 0.82 MEN1 (0.50) POLBERCC1ERCC4PYCR1CRHBP
SCHEMBL2568818 0.81 HTT (0.49) ERCC1ERCC4PYCR1HTTKMT2A
SCHEMBL29335165 0.81 HTT (0.47) POLBERCC1ERCC4PYCR1CRHBP
SCHEMBL29334865 0.80 EPHX2 (0.51) CRHBPCRHR2HTTALDH1A1
SCHEMBL9824373 0.77 FSCN1 (0.53) ERCC1ERCC4PYCR1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed