SCHEMBL3948110

SCHEMBL3948110

c1ccc2cc(Nc3ccc4ocnc4c3)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 3/20 0.51
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 1/20 0.51
PRKD1 Q15139 1/20 0.47
EPHX2 P34913 1/20 0.46
DHFR P00374 2/20 0.44
DYRK1A Q13627 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MAPT P10636 3/20 0.41
TRPM5 Q9NZQ8 1/20 0.41
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
IGF1R P08069 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40

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
SCHEMBL24155693 0.81 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1PRKD1
SCHEMBL28209001 0.78 NPC1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL24586979 0.77 NPC1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1PRKD1
SCHEMBL29386674 0.75 ALDH1A1 (0.86) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL182655 0.75 ALDH1A1 (0.86) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL3739909 0.75 ALDH1A1 (0.86) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL24156017 0.75 EPHB4 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL1156058 0.74 NQO2 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL24156019 0.74 NPC1 (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1PRKD1
SCHEMBL9513153 0.73 ALDH1A1 (0.91) RAB9ANPC1SMN1; SMN2ALDH1A1CYP3A4

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-2009021750-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2009-02-19 WO disclosed