SCHEMBL8560978

SCHEMBL8560978

COc1cc(F)ccc1-c1nc(Cc2ccccc2)oc1-c1ccccc1S(N)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 13/20 0.42
CDK2 P24941 12/20 0.42
CCNT1 O60563 6/20 0.42
CCNE1 P24864 5/20 0.42
CCNE2 O96020 2/20 0.42
RXRA P19793 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CCNK O75909 1/20 0.38
CDK1 P06493 1/20 0.38
YES1 P07947 1/20 0.38
LYN P07948 1/20 0.38
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
EPHA1 P21709 1/20 0.38

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
SCHEMBL8554229 0.96 CDK9 (0.42) CDK9CDK2CCNT1CCNE1CCNE2
SCHEMBL8557954 0.91 RXRA (0.47) CDK9CDK2CCNT1RXRACA12
SCHEMBL8557664 0.90 L3MBTL1 (0.43) RXRASMN1; SMN2CA12CA1CA2
SCHEMBL8560882 0.89 MAPT (0.43) RXRACA12CA1CA2CA9
SCHEMBL8559713 0.87 FABP1 (0.38) RXRASMN1; SMN2
SCHEMBL8560601 0.87 ALOX5AP (0.41) CA12CA1CA2CA9
SCHEMBL8559802 0.87 RXRA (0.49) CDK9CDK2CCNT1RXRACA12
SCHEMBL7507985 0.86 CA2 (0.46) CDK9CDK2CCNT1CCNE1CCNE2
SCHEMBL8559042 0.86 L3MBTL1 (0.43) RXRASMN1; SMN2CA12CA1CA2
SCHEMBL8556320 0.86 GRM2 (0.42) RXRACA12CA1CA2CA9

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-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed