SCHEMBL6834535

SCHEMBL6834535

CN(Cc1cccnc1)S(=O)(=O)c1cc(C(=O)O)c(Nc2ccc(I)cc2Cl)c(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.47
APP P05067 1/20 0.42
TEX264 Q9Y6I9 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
AURKA O14965 2/20 0.40
TNFRSF1A P19438 2/20 0.40
MAP3K9 P80192 2/20 0.40
KDR P35968 1/20 0.40
DHODH Q02127 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
NAMPT P43490 5/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6267348 0.92 MAP2K1 (0.48) MAP2K1TDP1AURKATNFRSF1AMAP3K9
SCHEMBL6261655 0.86 MAP2K1 (0.56) MAP2K1TDP1HDAC3HDAC1HDAC7
SCHEMBL6260604 0.84 HDAC8 (0.48) MAP2K1TDP1AURKATNFRSF1AMAP3K9
SCHEMBL6262801 0.81 MAP2K1 (0.60) MAP2K1AURKATNFRSF1AMAP3K9KDR
SCHEMBL6263453 0.79 HDAC8 (0.51) DHODHHDAC3HDAC1HDAC7HDAC2
SCHEMBL6263489 0.78 MAP2K1 (0.58) MAP2K1TDP1HDAC3HDAC1HDAC7
SCHEMBL6261443 0.78 MAP2K1 (0.49) MAP2K1APPAURKATNFRSF1AMAP3K9
SCHEMBL6260594 0.78 MAP2K1 (0.49) MAP2K1AURKATNFRSF1AMAP3K9KDR
SCHEMBL6261594 0.78 MAP2K1 (0.49) MAP2K1AURKATNFRSF1AMAP3K9KDR
SCHEMBL6266866 0.77 MEN1 (0.61) MAP2K1TDP1HDAC3HDAC1HDAC7

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-6750217-B2 ANTICANCER AGENTS; CARDIOVASCULAR DISORDERS; KINASE INHIBITOR WARNER-LAMBERT COMPANY 2004-06-15 US disclosed