SCHEMBL18507380

SCHEMBL18507380

Cc1cccc(-c2noc(-c3c(O)cccc3F)n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.63
NPC1 O15118 11/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
TP53 P04637 4/20 0.63
CASP3 P42574 2/20 0.61
SENP7 Q9BQF6 2/20 0.61
POLB P06746 1/20 0.61
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 3/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
GAA P10253 1/20 0.50
HDAC6 Q9UBN7 2/20 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
SCHEMBL29606802 0.82 MAOA (0.71) RAB9ANPC1SMN1; SMN2CASP3SENP7
SCHEMBL60072 0.82 MAOA (0.71) RAB9ANPC1SMN1; SMN2CASP3SENP7
SCHEMBL28642664 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL12895791 0.78 TP53 (0.75) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL13882259 0.78 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL13427308 0.76 RAB9A (0.77) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL2604967 0.74 RAB9A (0.66) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL2604968 0.74 RAB9A (0.64) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL2604969 0.74 NPC1 (0.64) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL13930832 0.73 RAB9A (0.68) RAB9ANPC1SMN1; SMN2TP53CASP3

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-2910551-B1 1,2,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS INC (US) 2017-02-15 EP disclosed