SCHEMBL4728826

SCHEMBL4728826

COc1ccc(-c2cn3ccccc3n2)cc1F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 16/20 0.76
NPC1 O15118 15/20 0.76
ALDH1A1 P00352 10/20 0.76
SMN1; SMN2 Q16637 10/20 0.76
KDM4E B2RXH2 9/20 0.76
PKM P14618 5/20 0.76
HPGD P15428 4/20 0.76
MAPK1 P28482 3/20 0.76
TP53 P04637 2/20 0.76
HSD17B10 Q99714 2/20 0.76
TSHR P16473 1/20 0.76
MAPT P10636 6/20 0.70
LMNA P02545 1/20 0.70
GAA P10253 2/20 0.66
NFKB1 P19838 2/20 0.66
NFKB2 Q00653 2/20 0.66
RELA Q04206 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
GLA P06280 1/20 0.66
HTT P42858 2/20 0.65

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
SCHEMBL6389879 0.88 RAB9A (0.97) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4780900 0.84 RAB9A (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL22906629 0.83 RAB9A (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4727262 0.83 NPC1 (0.73) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4725053 0.83 RAB9A (1.00) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8342931 0.83 RAB9A (0.78) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16212126 0.83 NPC1 (0.61) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848765 0.82 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848987 0.82 RAB9A (0.68) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12848509 0.82 RAB9A (0.76) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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