SCHEMBL7575993

SCHEMBL7575993

Nc1nc2c(c(=O)[nH]1)NCN2CCC(=O)NCc1ccco1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
POLB P06746 6/20 0.46
KDM4E B2RXH2 3/20 0.46
HPRT1 P00492 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
PNP P00491 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
HSD17B10 Q99714 2/20 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
SCHEMBL7574663 0.82 POLB (0.47) ALDH1A1POLBKDM4EHPRT1KMT2A
SCHEMBL9798164 0.81 PNP (0.52) ALDH1A1POLBHPRT1KMT2AMEN1
SCHEMBL7567089 0.80 HPRT1 (0.54) HPRT1HSD17B10MAPK1
SCHEMBL7575108 0.79 HPRT1 (0.53) HPRT1
SCHEMBL7570074 0.79 HPRT1 (0.53) ALDH1A1KDM4EHPRT1KMT2AGAA
SCHEMBL7568086 0.78 POLB (0.52) ALDH1A1POLBKMT2AMEN1L3MBTL1
SCHEMBL7576799 0.77 HPRT1 (0.51) HPRT1KMT2AMEN1LMNAPNP
SCHEMBL7982326 0.77 HPRT1 (0.51) ALDH1A1KDM4EHPRT1GAAMAPT
SCHEMBL7980833 0.77 HPRT1 (0.45) ALDH1A1POLBKDM4EHPRT1GAA
SCHEMBL7570451 0.76 HPRT1 (0.53) ALDH1A1KDM4EHPRT1KMT2AMEN1

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 4 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
EP-1237890-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES Neotherapeutics, Inc. (US) 2002-09-11 EP disclosed
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
WO-2001029039-A1 SYNTHESIS AND METHODS OF USE OF 9-SUBSTITUTED GUANINE DERIVATIVES NEOTHERAPEUTICS, INC. (US) 2001-04-26 WO disclosed