SCHEMBL17656014

SCHEMBL17656014

CCc1ccc(-c2ncc(-c3cccc(C(=O)O)c3)o2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
GAA P10253 4/20 0.51
TP53 P04637 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
GLA P06280 2/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
CASP3 P42574 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL12798227 0.95 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12171998 0.86 RAB9A (0.57) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL1505232 0.83 RAB9A (0.51) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12171780 0.82 NPC1 (0.60) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12171787 0.81 VCP (0.52) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12171870 0.81 PTPN1 (0.60) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL19199453 0.79 ALOX15 (0.60) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12797818 0.79 RAB9A (0.58) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12796869 0.79 NPC1 (0.56) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12171401 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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
EP-1815206-B1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS INC (US) 2016-04-06 EP disclosed