SCHEMBL5321971

SCHEMBL5321971

CCCCCc1c(C)cc(C)c(S(N)(=O)=O)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.44
CA1 P00915 4/20 0.41
CA9 Q16790 3/20 0.41
RAB9A P51151 2/20 0.39
STS P08842 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SRC P12931 1/20 0.38
CA7 P43166 2/20 0.36
CA12 O43570 2/20 0.36
CA13 Q8N1Q1 1/20 0.36
LMNA P02545 1/20 0.35
SKP2 Q13309 1/20 0.34
CYP19A1 P11511 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
ALOX5 P09917 1/20 0.33
CCR5 P51681 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 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
SCHEMBL6665063 0.82 RAB9A (0.43) CA2CA1CA9RAB9ACA7
SCHEMBL30229578 0.81 NOS1 (0.39) CA2CA1CA9RAB9ASMN1; SMN2
SCHEMBL29116579 0.76 CA2 (0.42) CA2CA1CA9STSSMN1; SMN2
SCHEMBL8732546 0.76 CCR5 (0.45) SRCSKP2CYP19A1ALOX5CCR5
SCHEMBL9499381 0.74 MEN1 (0.34) CA2CA1CA9STSSMN1; SMN2
SCHEMBL21550397 0.73 TAAR1 (0.40) CA2CA1CA9RAB9ACA7
SCHEMBL6586893 0.72 ALDH1A1 (0.48) CA2CA1CA9RAB9ACA7
SCHEMBL21550420 0.72 PTGES2 (0.40) CA2CA1CA9SMN1; SMN2CA7
SCHEMBL2932203 0.72 RAB9A (0.53) CA2CA1CA9RAB9ASMN1; SMN2
SCHEMBL6491477 0.71 CA2 (0.45) CA2CA1CA9STSSMN1; SMN2

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-2007106554-A2 TREATMENT AND PREVENTION OF VASCULAR HYPERPLASIA USING POLYAMINE AND POLYAMINE ANALOG COMPOUNDS PROGEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed