SCHEMBL4781097

SCHEMBL4781097

CCSc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 11/20 0.64
RAB9A P51151 7/20 0.59
NPC1 O15118 7/20 0.59
ALDH1A1 P00352 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
KDM4E B2RXH2 5/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
PKM P14618 2/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL4725742 0.85 APP (0.72) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4729886 0.82 APP (0.64) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4729831 0.80 APP (0.72) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4842127 0.76 ALDH1A1 (0.57) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4726932 0.76 RAB9A (0.64) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL12692455 0.75 RAB9A (0.97) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4727745 0.75 RAB9A (0.68) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4725302 0.75 APP (0.64) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4778210 0.72 ALDH1A1 (0.49) APPRAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4727600 0.72 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA

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