SCHEMBL29953860

SCHEMBL29953860

CC(C)Cc1cc(C=O)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
DAO P14920 1/20 0.38
KDM5A P29375 1/20 0.34
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
PARP1 P09874 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL13373553 0.79
SCHEMBL9428088 0.76 HCAR2 (0.51) TSHRRAB9AHCAR2
SCHEMBL22445250 0.75
SCHEMBL1206530 0.72 DAO (0.38) TSHRDAOKDM5ARAB9AMEN1
SCHEMBL1204721 0.72 ATM (0.42) TSHRDAOKDM5ARAB9AMEN1
SCHEMBL1041484 0.71
SCHEMBL20568376 0.71 HCAR2 (0.48) DAORAB9AMEN1KMT2AHCAR2
SCHEMBL29428236 0.71 DYRK1A (0.41) TSHRDAOKDM5ARAB9AMEN1
SCHEMBL19201524 0.69
SCHEMBL6366504 0.69 HCAR2 (0.66) DAOHCAR2

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed