SCHEMBL314457

SCHEMBL314457

CS(=O)(=O)N1CCc2c(cccc2[AsH]c2ccc(Cl)c(C(=O)Nc3ccccc3)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 9/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 3/20 0.39
THRB P10828 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
CARM1 Q86X55 1/20 0.38
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 1/20 0.37
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.35
AGTR1 P30556 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
SCHEMBL304259 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL303567 0.67 MAPT (0.43) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL304536 0.67 JAK2 (0.41) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL3176574 0.63 AKR1C3 (0.57) SMN1; SMN2LMNAALDH1A1AKR1C3AKR1C2
SCHEMBL302187 0.63 FAAH (0.47) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL2103706 0.62 KMT2A (0.64) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL14591314 0.62 ALDH1A1 (0.49) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL304024 0.61 MAPT (0.43) SMN1; SMN2LMNAMAPTALDH1A1KDM4E
SCHEMBL1922152 0.61 AKR1C3 (0.56) SMN1; SMN2LMNAKMT2AMEN1TSHR
SCHEMBL26517036 0.61 AKR1C3 (0.56) SMN1; SMN2LMNAALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2012500853-A 2012-01-12 JP claimed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP claimed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO claimed