SCHEMBL6789409

SCHEMBL6789409

COC(=O)C=Cc1ccc(Cc2c(-c3ccc(C(=N)N)cc3)[nH]c3cc(C(=N)N)ccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.41
F2 P00734 9/20 0.41
HDAC1 Q13547 3/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KCNH2 Q12809 1/20 0.38
PLG P00747 4/20 0.37
PLAU P00749 4/20 0.37
PRSS1 P07477 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL6789400 0.99 F10 (0.40) F10F2HDAC1HDAC3HDAC4
Hydrochloric Acid SCHEMBL6789404 0.99 F10 (0.40) F10F2HDAC1HDAC3HDAC4
SCHEMBL6786964 0.85 KIF11 (0.45) F10F2PLGPLAUPRSS1
SCHEMBL6791284 0.84 F2 (0.39) F10F2PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL6786963 0.84 KIF11 (0.44) F10F2PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL6791282 0.83 F2 (0.38) F10F2PLGPLAUPRSS1
Hydrochloric Acid SCHEMBL6791279 0.83 F2 (0.38) F10F2PLGPLAUPRSS1
SCHEMBL6788527 0.79 KIF11 (0.46) F10F2PLGPLAUPRSS1
SCHEMBL6793456 0.78 HTT (0.45) F10F2PRSS1HTT
Hydrochloric Acid SCHEMBL6788523 0.78 KIF11 (0.46) F10F2PLGPLAUPRSS1

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-6699862-B1 ANTITUMOR PFIZER INC. 2004-03-02 US claimed