SCHEMBL2830005

SCHEMBL2830005

Cc1nccc(NC(=O)Oc2nc(C)sc2Nc2ccon2)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.35
RAB9A P51151 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GRM5 P41594 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 1/20 0.33
NTRK1 P04629 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CTSK P43235 1/20 0.32
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2826649 0.83 HTR2C (0.36) SORT1SMN1; SMN2ALDH1A1GRM5GLA
SCHEMBL2828980 0.82 SORT1 (0.41) SORT1RAB9ASMN1; SMN2
SCHEMBL2829325 0.82 JAK2 (0.41) SORT1RAB9AKMT2A
SCHEMBL2832743 0.82 SORT1 (0.34) SORT1ALDH1A1GRM5KMT2AHPGD
SCHEMBL2826030 0.82 PIK3CA (0.37) SORT1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL2830257 0.81 GRM5 (0.50) SORT1GRM5KMT2ANTRK1
SCHEMBL2833176 0.80 SORT1 (0.41) SORT1RAB9AGRM5
SCHEMBL2826585 0.80 GRM5 (0.52) GRM5KMT2A
SCHEMBL2829067 0.79 CTSK (0.35) SORT1RAB9AALDH1A1GRM5KMT2A
SCHEMBL2831282 0.78 NPC1 (0.43) RAB9APOLBSMN1; SMN2GRM5L3MBTL1

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