SCHEMBL7982852

SCHEMBL7982852

CC(NC(=O)CCN1CNc2c1nc(N)[nH]c2=O)C(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 6/20 0.44
ALDH1A1 P00352 2/20 0.43
ASAH1 Q13510 1/20 0.43
ACER2 Q5QJU3 1/20 0.43
PARP1 P09874 3/20 0.36
PARP3 Q9Y6F1 3/20 0.36
KDM4E B2RXH2 2/20 0.34
NOS1 P29475 2/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
PRCP P42785 2/20 0.33

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
SCHEMBL7575961 0.81 AKR1B1 (0.47) HPRT1PARP1PARP3
SCHEMBL7575446 0.80 HPRT1 (0.46) HPRT1NOS1
SCHEMBL7570451 0.79 HPRT1 (0.53) HPRT1ALDH1A1KDM4ENOS1
SCHEMBL7567089 0.76 HPRT1 (0.54) HPRT1NOS1
SCHEMBL5250159 0.75 HPRT1 (0.60) HPRT1NOS1
SCHEMBL7574663 0.75 POLB (0.47) HPRT1ALDH1A1KDM4EPOLB
SCHEMBL5258342 0.74 HPRT1 (0.48) HPRT1ALDH1A1PARP1POLB
SCHEMBL7589916 0.74 HPRT1 (0.52) HPRT1NOS1
SCHEMBL7982326 0.74 HPRT1 (0.51) HPRT1ALDH1A1KDM4ENOS1
SCHEMBL7980833 0.73 HPRT1 (0.45) HPRT1ALDH1A1KDM4ETSHRPOLB

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-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US claimed
US-6297226-B1 TREATING A DISEASE OR A CONDITION IN A MAMMAL TREATABLE BY INHIBITING THE ACTIVITY OF A MONOAMINE OXIDASE NEOTHERAPEUTICS, INC. 2001-10-02 US disclosed