SCHEMBL7328672

SCHEMBL7328672

CC(C#N)N1C(=O)C(O)N=C(c2ccccc2)c2cc([N+](=O)[O-])ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
OPRK1 P41145 2/20 0.46
PDE3A Q14432 1/20 0.46
BRD4 O60885 1/20 0.41
BRD2 P25440 1/20 0.41
BRD3 Q15059 1/20 0.41
CCKBR P32239 3/20 0.41
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
HPGD P15428 1/20 0.37
PDE4D Q08499 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
SCHEMBL29394022 0.81 OPRK1 (0.68) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL7328677 0.79 LMNA (0.47) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL8722163 0.74 LMNA (0.60) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL2929249 0.72 LMNA (0.64) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL3783696 0.72 LMNA (0.64) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL4424339 0.71 GABRA1 (0.66) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL11389231 0.71 LMNA (0.62) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL7091758 0.71 GABRA1 (0.66) LMNAOPRK1PDE3ABRD4BRD2
SCHEMBL11394894 0.71 LMNA (0.67) LMNACCKBRHPGDPDE4DGABRA1
SCHEMBL11925028 0.70 LMNA (0.74) LMNAOPRK1CCKBRHPGDPDE4D

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
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US claimed
US-4388313-A Novel 3-hydroxy-1,4-benzodiazepine-2-ones and process for the preparation thereof GEROT-PHARMAZEUTIKA GESELLSCHAFT M.B.H. (AT) 1983-06-14 US disclosed