SCHEMBL2826420

SCHEMBL2826420

O=C(Nc1cccc(Cl)c1)Oc1ncsc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 10/20 0.45
KMT2A Q03164 10/20 0.45
MAPT P10636 7/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GRM4 Q14833 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
THRB P10828 2/20 0.40
RECQL P46063 1/20 0.40
BLM P54132 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL2830058 0.91 LMNA (0.50) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2828965 0.89 ALDH1A1 (0.46) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2827687 0.88 MEN1 (0.49) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2829161 0.85 HPGD (0.50) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2829476 0.84 AKR1C3 (0.48) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2829497 0.84 LMNA (0.49) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2829084 0.83 HPGD (0.48) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2828993 0.83 MAPT (0.51) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2828556 0.82 MAOB (0.46) LMNAHTTMEN1KMT2AMAPT
SCHEMBL2826660 0.81 LMNA (0.46) LMNAHTTMEN1KMT2AMAPT

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-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed