SCHEMBL20204751

SCHEMBL20204751

Cc1cc(OCC2CC2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 5/20 0.42
PARP10 Q53GL7 5/20 0.42
TDP1 Q9NUW8 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
HTR3A P46098 1/20 0.39
KCNH2 Q12809 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
RIPK1 Q13546 1/20 0.37
SLC6A3 Q01959 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL23052782 0.79 PARP15 (0.42) PARP15PARP10TDP1SLC6A2SLC6A4
SCHEMBL21325222 0.79 PARP15 (0.39) PARP15PARP10TDP1SLC6A2SLC6A4
SCHEMBL20204753 0.76 HMBS (0.37) PARP15PARP10TDP1SLC6A2SLC6A4
SCHEMBL16727170 0.74 LMNA (0.47) PARP15PARP10TDP1SLC6A2PARP2
SCHEMBL20208335 0.72 ADORA2A (0.38) PARP15PARP10TDP1SLC6A2SLC6A4
SCHEMBL2665020 0.69 PARP15 (0.55) PARP15PARP10TDP1PARP2
SCHEMBL8930160 0.69 PARP15 (0.55) PARP15PARP10TDP1PARP2
SCHEMBL29024848 0.69 PARP15 (0.64) PARP15PARP10TDP1PARP2
SCHEMBL8221790 0.69 PARP15 (0.50) PARP15PARP10TDP1SLC6A2SLC6A4
SCHEMBL31498181 0.68 SLC6A2 (0.49) PARP15PARP10TDP1SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed
WO-2018098207-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed