SCHEMBL4727646

SCHEMBL4727646

CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)cc3)cn2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.61
RAB9A P51151 8/20 0.61
ALDH1A1 P00352 10/20 0.55
ALDH1A3 P47895 1/20 0.55
APP P05067 1/20 0.52
KDM4E B2RXH2 8/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HSP90AA1 P07900 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
HPGD P15428 2/20 0.49
NR4A2 P43354 3/20 0.48
GAA P10253 1/20 0.48
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MITF O75030 1/20 0.48
KDM5A P29375 1/20 0.48
KDM5C P41229 1/20 0.48

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
SCHEMBL4842127 0.86 ALDH1A1 (0.57) NPC1RAB9AALDH1A1KDM4EKMT2A
SCHEMBL4728696 0.81 KDM4E (0.48) NPC1RAB9AALDH1A1ALDH1A3KDM4E
SCHEMBL1691409 0.77 RAB9A (1.00) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL1691254 0.76 NPC1 (0.80) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL4728088 0.76 RAB9A (0.61) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL13198279 0.74 RAB9A (0.73) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL4725742 0.74 APP (0.72) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL1664803 0.73 RAB9A (0.83) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL217156 0.72 RAB9A (0.75) NPC1RAB9AALDH1A1ALDH1A3APP
SCHEMBL1472541 0.72 ALDH1A1 (0.82) NPC1RAB9AALDH1A1ALDH1A3APP

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