SCHEMBL4728088

SCHEMBL4728088

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
ALDH1A1 P00352 6/20 0.55
ALDH1A3 P47895 2/20 0.55
APP P05067 2/20 0.52
NR4A2 P43354 7/20 0.48
KCNH2 Q12809 2/20 0.48
CYP2C9 P11712 1/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
PAX8 Q06710 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
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL4779896 0.86 APP (0.52) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL4886789 0.81 ALDH1A3 (0.43) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL1691409 0.77 RAB9A (1.00) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL1691254 0.76 NPC1 (0.80) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL4727646 0.76 NPC1 (0.61) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL13198279 0.74 RAB9A (0.73) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL4725742 0.74 APP (0.72) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL1664803 0.73 RAB9A (0.83) RAB9ANPC1ALDH1A1ALDH1A3APP
SCHEMBL1691421 0.72 NPC1 (0.75) RAB9ANPC1ALDH1A1ALDH1A3APP

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