SCHEMBL4756566

SCHEMBL4756566

CSc1nc(C)c(C)c(=O)n1-c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
POLB P06746 3/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 3/20 0.41
GRM1 Q13255 1/20 0.41
TLR8 Q9NR97 1/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MC4R P32245 1/20 0.40
OPRK1 P41145 1/20 0.40
GPR35 Q9HC97 1/20 0.40
HTR6 P50406 1/20 0.39

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
SCHEMBL4755234 0.78 POLB (0.45) SMN1; SMN2POLBLMNARAB9ANPC1
SCHEMBL4756615 0.78 KMT2A (0.41) KMT2ANPSR1MEN1MAPTHTR6
SCHEMBL1101909 0.75 LMNA (0.72) SMN1; SMN2LMNAALDH1A1KMT2ANPSR1
SCHEMBL7085417 0.75 POLB (0.41) SMN1; SMN2POLBRAB9AALDH1A1TLR8
SCHEMBL5437956 0.72 ATM (0.42) SMN1; SMN2POLBLMNAALDH1A1GRM1
SCHEMBL13985230 0.71 DRD1 (0.39) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL4753340 0.71 DRD1 (0.39) SMN1; SMN2POLBRAB9ANPC1ALDH1A1
SCHEMBL11839655 0.70 ALDH1A1 (0.45) SMN1; SMN2POLBLMNARAB9ANPC1
SCHEMBL7969946 0.70 ALDH1A1 (0.53) SMN1; SMN2POLBLMNAALDH1A1KMT2A
SCHEMBL5429549 0.69 XDH (0.46) SMN1; SMN2POLBLMNARAB9AALDH1A1

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
WO-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO disclosed