SCHEMBL4779896

SCHEMBL4779896

CC[S+]([O-])c1ccc2nc(-c3ccc(I)cc3)cn2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 9/20 0.52
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
PAX8 Q06710 2/20 0.48
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MITF O75030 1/20 0.48
KDM5A P29375 1/20 0.48
KDM5C P41229 1/20 0.48
ALDH1A3 P47895 4/20 0.43
ALDH1A2 O94788 1/20 0.43
SLC2A1 P11166 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
STAT3 P40763 1/20 0.42
CASP3 P42574 1/20 0.42

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
SCHEMBL14260024 0.86 APP (0.56) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4728088 0.86 RAB9A (0.61) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4886789 0.81 ALDH1A3 (0.43) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL15177306 0.77 APP (0.73) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1691247 0.76 NPC1 (0.80) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4729831 0.74 APP (0.72) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL24320031 0.73 NPC1 (0.74) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL13217820 0.72 RAB9A (0.81) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14076016 0.72 APP (0.66) APPNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2899627 0.71 ALDH1A3 (0.70) APPNPC1RAB9AALDH1A1SMN1; 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-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed