SCHEMBL8480689

SCHEMBL8480689

CCC(O)Oc1cc(C)cc(OS(=O)(=O)c2cc(Br)ccc2OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
GLA P06280 1/20 0.47
TSHR P16473 2/20 0.44
F2 P00734 4/20 0.42
GAA P10253 3/20 0.39
WDR5 P61964 3/20 0.38
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
MYC P01106 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 1/20 0.37

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
SCHEMBL8476641 0.90 F2 (0.50) SMN1; SMN2TSHRF2GAAKMT2A
SCHEMBL5676185 0.89 L3MBTL1 (0.44) SMN1; SMN2F2KMT2A
SCHEMBL8481720 0.87 GAA (0.50) SMN1; SMN2TSHRF2GAAWDR5
SCHEMBL8479188 0.85 F2 (0.56) F2
SCHEMBL8477096 0.81 SMN1; SMN2 (0.43) SMN1; SMN2GLATSHRF2GAA
SCHEMBL5672814 0.81 SMN1; SMN2 (0.49) SMN1; SMN2GLATSHRF2GAA
SCHEMBL5675847 0.79 F2 (0.54) SMN1; SMN2GLATSHRF2PKM
SCHEMBL8479180 0.79 F2 (0.44) F2
SCHEMBL8481378 0.77 F2 (0.56) F2
SCHEMBL8482817 0.77 F2 (0.39) SMN1; SMN2F2KDM4EKMT2AHTT

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
US-5891909-A Amidinohydrazones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-04-06 US disclosed