SCHEMBL16637678

SCHEMBL16637678

COc1sc(Nc2ccccc2)nc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.55
MEN1 O00255 12/20 0.55
MAPT P10636 12/20 0.55
LMNA P02545 5/20 0.55
PSMD14 O00487 1/20 0.55
RAB9A P51151 9/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
GAA P10253 6/20 0.50
ALDH1A1 P00352 5/20 0.50
NFKB1 P19838 4/20 0.50
NFKB2 Q00653 4/20 0.50
RELA Q04206 4/20 0.50
ADORA3 P0DMS8 2/20 0.49
ADORA2A P29274 2/20 0.49
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46

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
Bromide SCHEMBL2362037 0.72 NPC1 (0.49) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL16637975 0.71 MAPT (0.49) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL7756093 0.71 MAPT (1.00) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL9668497 0.70 MAPT (0.54) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL9666910 0.69 MAPT (0.52) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL9788042 0.69 MAPT (0.56) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL2879032 0.67 RAB9A (0.60) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL4479462 0.67 EGFR (0.64) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL15331990 0.66 MEN1 (1.00) KMT2AMEN1MAPTLMNAPSMD14
SCHEMBL5108536 0.66 ADORA2A (1.00) KMT2AMEN1MAPTADORA3ADORA2A

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