SCHEMBL4886789

SCHEMBL4886789

CC[S+]([O-])c1ccc2nc(-c3ccc4ccccc4c3)cn2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 10/20 0.43
ALDH1A1 P00352 8/20 0.43
ALDH1A2 O94788 1/20 0.43
SLC2A1 P11166 1/20 0.43
NPC1 O15118 9/20 0.42
RAB9A P51151 8/20 0.42
PKM P14618 7/20 0.42
KDM4E B2RXH2 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 2/20 0.42
TP53 P04637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MAPK1 P28482 3/20 0.41
MEN1 O00255 1/20 0.41
MITF O75030 1/20 0.41
KDM5A P29375 1/20 0.41

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
SCHEMBL4728088 0.81 RAB9A (0.61) ALDH1A3ALDH1A1NPC1RAB9APKM
SCHEMBL14260024 0.81 APP (0.56) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL4779896 0.81 APP (0.52) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL1691846 0.78 NPC1 (0.68) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL4728696 0.78 KDM4E (0.48) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL4729886 0.76 APP (0.64) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL13325714 0.74 RAB9A (0.69) ALDH1A3ALDH1A1ALDH1A2NPC1RAB9A
SCHEMBL1472271 0.74 NPC1 (0.63) ALDH1A3ALDH1A1ALDH1A2SLC2A1NPC1
SCHEMBL13325752 0.73 SMN1; SMN2 (0.70) ALDH1A1NPC1RAB9APKMKDM4E
SCHEMBL13325743 0.72 RAB9A (0.68) ALDH1A1NPC1RAB9APKMKDM4E

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