SCHEMBL4582736

SCHEMBL4582736

N#CN/C(S)=N/c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
USP2 O75604 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
SLC22A3 O75751 1/20 0.40
PLAU P00749 1/20 0.40
NOS1 P29475 3/20 0.39
NOS3 P29474 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.37

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
SCHEMBL6947266 0.81 PLG (0.44) KMT2AALDH1A1USP2NOS1NOS3
SCHEMBL7898821 0.79 HTR3E (0.50) KMT2AGAAMAPTALDH1A1HTR3E
SCHEMBL11238996 0.76 ALDH1A1 (0.68) KMT2AGAAMAPTALDH1A1HTR3E
SCHEMBL3635852 0.73 KMT2A (0.45) KMT2AGAAMAPTALDH1A1HTR3E
SCHEMBL7256704 0.73 ADRA2A (0.49) KMT2AMAPTALDH1A1USP2PLAU
SCHEMBL7256700 0.73 ADRA2A (0.49) KMT2AMAPTALDH1A1USP2PLAU
SCHEMBL10779753 0.72 CYP19A1 (0.43) KMT2AMAPTALDH1A1NOS1NOS3
SCHEMBL3287572 0.72 SMN1; SMN2 (0.69) KMT2AGAAMAPTALDH1A1USP2
SCHEMBL3287569 0.72 SMN1; SMN2 (0.69) KMT2AGAAMAPTALDH1A1USP2
SCHEMBL13325330 0.72 SMN1; SMN2 (0.69) KMT2AGAAMAPTALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968947-A1 GABA-B RECEPTOR MODULATORS AstraZeneca AB (SE) 2008-09-17 EP claimed
WO-2007073300-A1 GABA-B RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2007-06-28 WO claimed
EP-1761531-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS AstraZeneca AB (SE) 2007-03-14 EP disclosed
WO-2006001750-A1 IMIDAZOLE VARIANTS AS MODULATORS OF GABA RECEPTOR FOR THE TREATMENT OF GI DISORDERS ASTRAZENECA AB (SE) 2006-01-05 WO disclosed