SCHEMBL2824581

SCHEMBL2824581

Cc1cccc(NC(=O)Oc2nc(C)sc2N(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.45
GRM5 P41594 6/20 0.44
GBA1 P04062 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL2826109 0.77 GRM5 (0.47) RAB9ANPC1GRM5GBA1KMT2A
SCHEMBL2824734 0.77 RAB9A (0.46) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL2826591 0.76 GRM5 (0.46) RAB9ANPC1GRM5GBA1KMT2A
SCHEMBL2830506 0.75 GRM5 (0.48) RAB9ANPC1GRM5GBA1KMT2A
SCHEMBL2829267 0.75 GRM5 (0.55) RAB9ANPC1GRM5GBA1KMT2A
SCHEMBL2830253 0.74 GRM5 (0.51) RAB9ANPC1GRM5KMT2A
SCHEMBL2827599 0.74 GRM5 (0.46) RAB9ANPC1GRM5KMT2ASMN1; SMN2
SCHEMBL2824785 0.74 GRM5 (0.70) RAB9ANPC1GRM5GBA1KMT2A
SCHEMBL2826581 0.73 GRM5 (0.50) RAB9ANPC1GRM5GBA1KMT2A
SCHEMBL2827914 0.72 GRM5 (0.47) RAB9ANPC1GRM5GBA1KMT2A

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