SCHEMBL7086732

SCHEMBL7086732

C[C](C)C(c1c(-c2ccc(C)cc2)nc2cc(C)ccn12)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALOX5 P09917 1/20 0.46
CGAS Q8N884 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 5/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
USP7 Q93009 1/20 0.40
POLB P06746 2/20 0.39
BACE1 P56817 1/20 0.37
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 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
SCHEMBL5253355 0.85 GAA (0.51) MAPTCGASSMN1; SMN2TP53GAA
SCHEMBL7080036 0.77 GAA (0.51) MAPTALOX5SMN1; SMN2TP53GAA
SCHEMBL12056713 0.71 ALOX5 (0.54) MAPTALOX5CGASSMN1; SMN2TP53
SCHEMBL3396205 0.71 ALOX5 (0.44) MAPTALOX5CGASSMN1; SMN2TP53
SCHEMBL1691295 0.70 SMN1; SMN2 (0.51) MAPTALOX5CGASSMN1; SMN2TP53
SCHEMBL7235017 0.69 NPC1 (0.49) MAPTALOX5CGASSMN1; SMN2GAA
SCHEMBL7235014 0.68 RAB9A (0.53) MAPTALOX5CGASSMN1; SMN2KDM4E
SCHEMBL7411403 0.67 MLKL (0.45) MAPTALOX5CGASSMN1; SMN2TP53
SCHEMBL5164973 0.67 NPC1 (0.42) MAPTALOX5CGASSMN1; SMN2GAA
SCHEMBL5167601 0.67 MAPT (0.61) MAPTALOX5SMN1; SMN2TP53GAA

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-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed