SCHEMBL5211404

SCHEMBL5211404

CC(C)OC(=O)Nc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
SCD O00767 4/20 0.47
HPSE Q9Y251 2/20 0.45
NPBWR1 P48145 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
BAZ1A Q9NRL2 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL2975556 0.84 KMT2A (0.47) KMT2AMEN1NPC1RAB9ASCD
SCHEMBL5190791 0.84 MMP2 (0.56) KMT2AMEN1NPC1RAB9ANPBWR1
SCHEMBL5191194 0.80 MAPT (0.49) KMT2AMEN1NPC1RAB9AHPSE
SCHEMBL5190850 0.80 TUBB4A (0.43) KMT2AMEN1NPC1RAB9AHPSE
SCHEMBL5205370 0.79 ALDH1A1 (0.48) KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL5191764 0.79 SIRT2 (0.52) NPC1RAB9ATP53MAPTSMN1; SMN2
SCHEMBL5202947 0.78 MEN1 (0.50) KMT2AMEN1NPC1RAB9AHPSE
SCHEMBL5190813 0.77 HDAC6 (0.57) TP53MAPTSMN1; SMN2
SCHEMBL5213390 0.76 KDM4E (0.48) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL2971334 0.76 CA2 (0.41) KMT2AMEN1NPC1RAB9ATUBB4A

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-1831218-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-09-12 EP disclosed
WO-2006066914-A2 CARBAMATE SUBSTITUTED IMIDAZO- AND PYRROLO-PYRIDINES AS PROTEIN KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed