SCHEMBL2830868

SCHEMBL2830868

CNc1sc(C)nc1OC(=O)Nc1nc(C)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
RAB9A P51151 11/20 0.44
NPC1 O15118 10/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL2828836 0.83 NPC1 (0.42) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2828434 0.83 MAPT (0.50) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2831340 0.83 NPC1 (0.47) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2830798 0.83 GRM5 (0.44) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2829129 0.82 GRM5 (0.41) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2824734 0.81 RAB9A (0.46) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2828219 0.80 SMARCA2 (0.49) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2828477 0.80 NPC1 (0.44) MAPTRAB9ANPC1HPGDSMN1; SMN2
SCHEMBL2825830 0.80 RAB9A (0.44) MAPTRAB9ANPC1SMN1; SMN2GLA
SCHEMBL2830051 0.80 RAB9A (0.40) MAPTRAB9ANPC1HPGDSMN1; SMN2

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