SCHEMBL2830402

SCHEMBL2830402

Cc1nc(OC(=O)Nc2cccc(Cl)c2)c(Nc2cccc(CO)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
LMNA P02545 6/20 0.42
HTT P42858 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
NHERF1 O14745 1/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39

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
SCHEMBL2830277 0.91 MAPT (0.42) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL2828966 0.90 GRM5 (0.40) MAPTKDM4EALDH1A1LMNANHERF1
SCHEMBL2827550 0.87 BRAF (0.48) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL2826783 0.87 GRM5 (0.49) MAPTALDH1A1LMNAMAPK1PDK1
SCHEMBL2832150 0.85 KMT2A (0.50) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL2827914 0.84 GRM5 (0.47) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL2828398 0.84 GRM5 (0.47) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL2826781 0.83 GRM5 (0.52) MAPTALDH1A1LMNANPC1KMT2A
SCHEMBL2832757 0.83 CA2 (0.45) MAPTL3MBTL1KMT2AMEN1POLB
SCHEMBL2829284 0.81 NPC1 (0.41) KDM4EALDH1A1LMNAHTTNPC1

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