SCHEMBL4774386

SCHEMBL4774386

O=C1N=C(Nc2cc([N+](=O)[O-])ccc2Cl)SC1=Cc1cccc2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.39
KDR P35968 2/20 0.39
NFKBIA P25963 2/20 0.39
RELA Q04206 2/20 0.39
HTT P42858 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
PSMD14 O00487 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PDE4D Q08499 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL4768062 0.85 DYRK3 (0.38) MEN1KMT2AMAPTALDH1A1KDR
SCHEMBL2789830 0.85 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2789825 0.85 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4772929 0.83 SLC40A1 (0.38) MEN1KMT2AMAPTNFKBIARELA
SCHEMBL4770530 0.82 PDE10A (0.46) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL2999189 0.74 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1NFKBIA
SCHEMBL2999185 0.74 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1NFKBIA
SCHEMBL4768194 0.74 BACE1 (0.36) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL4775747 0.70 GPR84 (0.38) MEN1KMT2ARAB9AGAASMN1; SMN2
SCHEMBL4765880 0.70 ROCK1 (0.43) MEN1KMT2AMAPK1L3MBTL1

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-1567112-B1 THIAZOLIDIN-4-ONES FOR INHIBITING hYAK3 PROTEINS SMITHKLINE BEECHAM CORP (US) 2008-10-15 EP claimed