SCHEMBL4727745

SCHEMBL4727745

Nc1ccc2nc(-c3ccc(Cl)c(Cl)c3)cn2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.68
NPC1 O15118 8/20 0.68
ALDH1A1 P00352 8/20 0.68
SMN1; SMN2 Q16637 5/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
NFKB1 P19838 2/20 0.68
NFKB2 Q00653 2/20 0.68
RELA Q04206 2/20 0.68
LMNA P02545 1/20 0.68
APP P05067 3/20 0.50
KDM4E B2RXH2 5/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A3 P47895 3/20 0.46
KMO O15229 2/20 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
SCHEMBL4781380 0.83 RAB9A (0.75) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2127350 0.82 APP (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL12692455 0.82 RAB9A (0.97) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4726932 0.79 RAB9A (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4725302 0.78 APP (0.64) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL22614993 0.77 RAB9A (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL4157927 0.76 NPC1 (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL12380447 0.76 NPC1 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2127137 0.76 ALDH1A3 (0.65) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1
SCHEMBL5775919 0.76 RAB9A (0.81) RAB9ANPC1ALDH1A1SMN1; SMN2MEN1

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