SCHEMBL5192049

SCHEMBL5192049

CCOc1ccc(CNC(=O)CC2CN(C(=O)OC)CCN2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 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
SCHEMBL5190651 0.84 KMT2A (0.42) KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL5195066 0.82 KMT2A (0.48) KMT2AMEN1POLBSMN1; SMN2
SCHEMBL5192491 0.80 ALDH1A1 (0.45) KMT2AMEN1GAANPC1SMN1; SMN2
SCHEMBL5192873 0.79 LMNA (0.47) KDM4EKMT2AMEN1MAPTGAA
SCHEMBL5193432 0.79 MAPT (0.50) KMT2AMEN1MAPTGAARAB9A
SCHEMBL5190018 0.78 PKM (0.49) KMT2AMEN1POLBGAANPC1
SCHEMBL5193335 0.77 SMN1; SMN2 (0.49) KDM4EKMT2AMEN1MAPTPOLB
SCHEMBL5194091 0.77 FAAH (0.53) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL5193739 0.76 PKM (0.56) KMT2AMEN1MAPTPOLBRAB9A
SCHEMBL5194854 0.76 NPC1 (0.44) KMT2AMEN1POLBGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0968206-B8 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX INC (US) 2007-01-24 EP claimed
EP-0968206-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 2000-01-05 EP claimed
WO-1998037079-A1 N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS BERLEX LABORATORIES, INC. (US) 1998-08-27 WO claimed