SCHEMBL13742979

SCHEMBL13742979

CCCCc1ccc(-c2ccc(S(N)(=O)=O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CA12 O43570 9/20 0.48
CA1 P00915 9/20 0.48
CA9 Q16790 9/20 0.48
RARB P10826 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
CHEK1 O14757 1/20 0.41
FAAH O00519 1/20 0.40
AKT1 P31749 1/20 0.40
GAB1 Q13480 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 1/20 0.40
FDFT1 P37268 1/20 0.40
PDPK1 O15530 1/20 0.40

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
SCHEMBL14703079 0.79 RARB (0.53) CA2SMN1; SMN2CA1RARBKDM4E
SCHEMBL7337943 0.79 CA2 (0.41) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL6955062 0.79 CA2 (0.41) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL13743183 0.76 CA2 (0.56) CA2CA12CA1CA9RAB9A
SCHEMBL2089792 0.75 CA2 (0.52) CA2CA12CA1CA9CHEK1
SCHEMBL18122304 0.74 CA2 (0.89) CA2SMN1; SMN2CA12CA1CA9
SCHEMBL16706013 0.74 HSD11B1 (0.49) CA2SMN1; SMN2CA1RARBKDM4E
SCHEMBL6418801 0.74 HSD17B10 (0.55) SMN1; SMN2RARBKDM4ERAB9ALMNA
SCHEMBL2466020 0.74 HSD17B10 (0.55) SMN1; SMN2RARBKDM4ERAB9ALMNA
SCHEMBL23254983 0.73 APP (0.57) CA2CA12CA1CA9

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
WO-2009096198-A1 NOVEL BIARYL DERIVATIVE PHARMA IP LIMITED LIABILITY INTERMEDIARY CORPORATIONS (JP) 2009-08-06 WO disclosed