SCHEMBL4743575

SCHEMBL4743575

CCCCCCCCCCN(CCCCBr)S(=O)(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
SERPINE1 P05121 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR2 P34972 2/20 0.38
VCAM1 P19320 1/20 0.38
THRB P10828 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4743629 0.99 SMN1; SMN2 (0.39) MCHR1SERPINE1MEN1LMNAKMT2A
SCHEMBL7518369 0.93 CA9 (0.40) MEN1LMNAKMT2ASMN1; SMN2KEAP1
SCHEMBL7518492 0.90 TSHR (0.39) SERPINE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7522692 0.88 CA12 (0.38) KMT2ASMN1; SMN2KEAP1NFE2L2CA1
SCHEMBL5963054 0.88 TSHR (0.40) SERPINE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14080627 0.87 KMT2A (0.41) SERPINE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14080566 0.87 KMT2A (0.41) SERPINE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14080613 0.87 KMT2A (0.41) SERPINE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL7513482 0.86 CA12 (0.41) SERPINE1MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL14080720 0.85 CNR2 (0.41) SERPINE1MEN1LMNAKMT2ASMN1; 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-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 WO disclosed