SCHEMBL16637975

SCHEMBL16637975

CCNC(=O)c1nc(Nc2ccccc2)sc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
TP53 P04637 2/20 0.49
NPC1 O15118 6/20 0.48
RAB9A P51151 5/20 0.48
HPGD P15428 3/20 0.48
GAA P10253 3/20 0.48
PTGDR2 Q9Y5Y4 3/20 0.46
DHODH Q02127 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 2/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
TNIK Q9UKE5 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL16636990 0.73 ALDH1A1 (0.42) MAPTNPC1HPGDMEN1KMT2A
SCHEMBL2879032 0.72 RAB9A (0.60) MAPTTP53NPC1RAB9AHPGD
SCHEMBL13116110 0.71 AMY1A (0.58) MAPTRAB9AHPGDGAAMEN1
SCHEMBL16637678 0.71 KMT2A (0.55) MAPTTP53NPC1RAB9AHPGD
SCHEMBL14184594 0.70 MEN1 (0.69) MAPTNPC1RAB9AHPGDGAA
Bromide SCHEMBL2362037 0.69 NPC1 (0.49) MAPTTP53NPC1RAB9AHPGD
SCHEMBL16586316 0.68 GAA (0.63) MAPTTP53NPC1RAB9AHPGD
SCHEMBL2878254 0.68 NPC1 (0.58) MAPTTP53NPC1RAB9AHPGD
SCHEMBL16047133 0.67 ALDH1A1 (0.61) MAPTTP53NPC1RAB9AHPGD
SCHEMBL13224736 0.67 TNIK (0.65) MAPTTP53NPC1RAB9AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055315-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. Hoffmann-La Roche AG (CH) 2016-08-17 EP disclosed
WO-2015052226-A1 THIAZOLOPYRIMIDINONES AS MODULATORS OF NMDA RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed