SCHEMBL5190010

SCHEMBL5190010

COc1ccc(CN2CCN(C(=O)CC(C)C)CC2CC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.60
PKM P14618 1/20 0.60
KDM4E B2RXH2 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SIGMAR1 Q99720 2/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL5192480 0.87 SIGMAR1 (0.48) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL5190649 0.83 SIGMAR1 (0.42) POLBPKMMAPK1ALDH1A1SIGMAR1
SCHEMBL5193442 0.81 MAPT (0.55) KMT2AMEN1SMN1; SMN2
SCHEMBL5193992 0.80 SMN1; SMN2 (0.48) KDM4EKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL5195061 0.80 SIGMAR1 (0.49) POLBPKMKMT2AMEN1ALDH1A1
SCHEMBL5194086 0.79 FAAH (0.62) KMT2AMEN1SIGMAR1SMN1; SMN2
SCHEMBL5199484 0.78 MAPT (0.51) POLBPKMKMT2AMEN1SMN1; SMN2
SCHEMBL5195704 0.78 SPHK2 (0.52) KDM4EMAPK1ALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL5194848 0.78 OPRK1 (0.46) POLBKMT2AALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL5192328 0.77 TDP1 (0.52) POLBKDM4EKMT2AMEN1ALDH1A1

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