SCHEMBL16716680

SCHEMBL16716680

O=C(O)c1cccc(-c2nc(-c3ccc(C(F)F)cc3)cs2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
MEN1 O00255 5/20 0.58
KMT2A Q03164 5/20 0.58
ALDH1A1 P00352 3/20 0.58
EIF4E P06730 9/20 0.53
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
MAPT P10636 2/20 0.48
NR1H4 Q96RI1 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47

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
SCHEMBL1505212 0.88 NPC1 (0.60) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14106256 0.88 KDM4E (0.52) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12171823 0.85 EIF4E (0.60) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL17336823 0.84 KDM4E (0.64) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1505261 0.84 KDM4E (0.62) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12171986 0.84 KDM4E (0.64) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1505287 0.84 SREBF2 (0.65) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7215552 0.84 KDM4E (0.73) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL16716671 0.83 KDM4E (0.65) KDM4ENPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12796866 0.83 KDM4E (0.63) KDM4ENPC1RAB9ASMN1; 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
EP-2301538-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-05-20 EP disclosed