SCHEMBL29370925

SCHEMBL29370925

c1ccc2c(c1)Cc1c-2[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 1.00
CA2 P00918 16/20 1.00
CA4 P22748 16/20 1.00
CA6 P23280 16/20 1.00
CCNT1 O60563 1/20 0.57
CCNB2 O95067 1/20 0.57
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNA2 P20248 1/20 0.57
CDK2 P24941 1/20 0.57
GSK3B P49841 1/20 0.57
CDK9 P50750 1/20 0.57
CCNA1 P78396 1/20 0.57
CDK5 Q00535 1/20 0.57
CDK5R1 Q15078 1/20 0.57
SIRT2 Q8IXJ6 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
SIRT1 Q96EB6 1/20 0.57
MAPK10 P53779 1/20 0.56
RIPK1 Q13546 1/20 0.56

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
SCHEMBL2298597 1.00 CA1 (1.00) CA1CA2CA4CA6CCNT1
SCHEMBL7746281 0.86 CA1 (0.75) CA1CA2CA4CA6CCNT1
SCHEMBL12126575 0.83 CA1 (0.71) CA1CA2CA4CA6CCNT1
SCHEMBL30063877 0.83 CA1 (0.71) CA1CA2CA4CA6CCNT1
SCHEMBL15759621 0.82 CDK1 (0.72) CA1CA2CA4CA6CCNT1
SCHEMBL2299152 0.82 CA1 (0.71) CA1CA2CA4CA6CCNB2
SCHEMBL8946292 0.82 CA1 (0.71) CA1CA2CA4CA6CCNB2
SCHEMBL9531089 0.82 CA1 (0.71) CA1CA2CA4CA6CCNB2
SCHEMBL19353002 0.82 CA1 (0.69) CA1CA2CA4CA6CCNT1
SCHEMBL4627835 0.82 CA1 (0.69) CA1CA2CA4CA6CCNB2

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-2022070758-A1 TRANSPARENT ARTICLE ポリプラスチックス株式会社 2022-04-07 WO disclosed
WO-2022024549-A1 METHOD FOR PRODUCING CYCLOOLEFIN COPOLYMER ポリプラスチックス株式会社 2022-02-03 WO disclosed