SCHEMBL20207973

SCHEMBL20207973

Cc1cc(OCC2CC2)[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.39
PARP10 Q53GL7 4/20 0.39
HCAR2 Q8TDS4 1/20 0.39
GPR84 Q9NQS5 3/20 0.36
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BRD4 O60885 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A2 P23975 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
CREBBP Q92793 1/20 0.34
CYP2D6 P10635 1/20 0.33
CDK1 P06493 1/20 0.33
MAPKAPK2 P49137 1/20 0.33

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
SCHEMBL21325263 0.80 PARP15 (0.36) PARP15PARP10HCAR2GPR84LMNA
SCHEMBL20204753 0.74 HMBS (0.37) PARP15PARP10HCAR2BRD4SLC6A2
SCHEMBL24823620 0.70 CA1 (0.43) GPR84LMNAKDM4ESMN1; SMN2GRIN1
SCHEMBL16727170 0.69 LMNA (0.47) PARP15PARP10LMNAMAOASLC6A2
SCHEMBL14943724 0.67 HTR1A (0.42) PARP15PARP10KDM4EMEN1ALDH1A1
SCHEMBL20201747 0.67 HCAR2 (0.35) PARP15PARP10HCAR2BRD4CREBBP
SCHEMBL20204751 0.65 PARP15 (0.42) PARP15PARP10BRD4SLC6A2CREBBP
SCHEMBL19583295 0.63 YTHDF2 (0.59) LMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL18122046 0.63 ACACB (0.41) PARP15PARP10GRIN1GRIN2B
SCHEMBL20204815 0.63 HTR1A (0.47) LMNAKDM4EMEN1ALDH1A1KMT2A

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-2018098208-A1 NITROGEN RING LINKED DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed