SCHEMBL5966440

SCHEMBL5966440

CSc1cc(S(=O)(=O)NC(=O)c2ccc(Br)cc2C)sc1Br

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 13/20 0.54
FLT4 P35916 13/20 0.54
KDR P35968 13/20 0.54
GPR27 Q9NS67 1/20 0.42
EGFR P00533 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5966688 0.85 FLT1 (0.58) FLT1FLT4KDRGPR27EGFR
SCHEMBL5966503 0.81 FLT1 (0.54) FLT1FLT4KDRGPR27EGFR
SCHEMBL5966486 0.81 FLT1 (0.58) FLT1FLT4KDR
SCHEMBL5966459 0.79 FLT1 (0.60) FLT1FLT4KDRGPR27ALDH1A1
SCHEMBL5966447 0.79 FLT1 (0.54) FLT1FLT4KDRGPR27EGFR
SCHEMBL5966458 0.78 FLT1 (0.61) FLT1FLT4KDRGPR27EGFR
SCHEMBL5966436 0.76 FLT1 (0.56) FLT1FLT4KDRGPR27EGFR
SCHEMBL5966617 0.74 FLT1 (0.57) FLT1FLT4KDRGPR27EGFR
SCHEMBL5958965 0.74 FLT1 (0.84) FLT1FLT4KDRGPR27EGFR
SCHEMBL5966431 0.74 FLT1 (0.66) FLT1FLT4KDRGPR27EGFR

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
EP-1442030-B1 THIOPENE- AMD THIAZOLESULFONAMIDES AS ANTINEOPLASTIC AGENTS LILLY CO ELI (US) 2006-08-30 EP disclosed