SCHEMBL13091438

SCHEMBL13091438

C=C(c1cccc(Oc2ccc(C(=O)C(Br)Br)cc2)c1)C(Br)Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 2/20 0.51
▸ TNKS O95271 1/20 0.51
▸ PARP15 Q460N3 1/20 0.51
▸ PARP14 Q460N5 1/20 0.51
▸ TNKS2 Q9H2K2 1/20 0.51
▸ PARP2 Q9UGN5 1/20 0.51
▸ AKR1C3 P42330 1/20 0.47
▸ GSK3B P49841 3/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ KMO O15229 1/20 0.41
▸ ERCC5 P28715 1/20 0.40
▸ FEN1 P39748 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ FURIN P09958 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL563746 0.90 PARP10 (0.58) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL8488415 0.80 PARP10 (0.58) PARP10AKR1C3GSK3BERCC5FEN1
SCHEMBL696312 0.74 GSK3B (0.44) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL10731484 0.70 AKR1C3 (0.62) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL13091572 0.70 MAPT (0.61) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL70012 0.70 AKR1C3 (0.85) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL30307447 0.70 AKR1C3 (0.85) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL16429240 0.70 AKR1C3 (0.85) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL1042631 0.69 AKR1C3 (0.92) PARP10TNKSPARP15PARP14TNKS2
SCHEMBL30266789 0.69 AKR1C3 (0.92) PARP10TNKSPARP15PARP14TNKS2

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
WO-2010122162-A1 DIARYL ETHERS TIBOTEC PHARMACEUTICALS (IE) 2010-10-28 — — WO disclosed
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