SCHEMBL29952167

SCHEMBL29952167

COc1cccc(C#N)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.47
IMPDH1 P20839 1/20 0.47
PKM P14618 1/20 0.46
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AR P10275 4/20 0.43
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
HTR2A P28223 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
PTPRF P10586 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
SCHEMBL6903631 0.80 ALDH1A1 (0.42) GAAALDH1A1TSHRKDM4EMAOA
SCHEMBL170690 0.80 ERN1 (0.55) GAATLR2ERN1TLR1TLR6
Bromomethane SCHEMBL28079811 0.77 ERN1 (0.52) GAATLR2ERN1TLR1TLR6
SCHEMBL27685686 0.77 ERN1 (0.52) GAATLR2ERN1TLR1TLR6
SCHEMBL29522780 0.76 ERN1 (0.38) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL22902842 0.76 ERN1 (0.38) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL28738488 0.76 TSHR (0.54) SMN1; SMN2ARALDH1A1TSHRKDM4E
SCHEMBL29954526 0.76 TSHR (0.54) SMN1; SMN2ARALDH1A1TSHRKDM4E
SCHEMBL2987592 0.76 IMPDH2 (0.79) IMPDH2IMPDH1PKMPOLBGAA
SCHEMBL16599722 0.76 POLB (0.49) IMPDH2IMPDH1PKMPOLBGAA

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
CN-119219624-A Dihydronaphthalene amide preparation method of class compound 江苏吴中医药集团有限公司 2024-12-31 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed