SCHEMBL6988487

SCHEMBL6988487

N=C(N)Nc1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
DHODH Q02127 10/20 0.50
PARP1 P09874 7/20 0.49
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
CYP3A4 P08684 1/20 0.44

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
SCHEMBL6972586 0.78 HPSE (0.46) KDM4EHPGDMAOBADORA2A
Hydrochloric Acid SCHEMBL11789101 0.77 HPSE (0.45) KDM4EHPGDMAOBADORA2A
Hydrochloric Acid SCHEMBL11786682 0.77 HPSE (0.45) KDM4EHPGDMAOBADORA2A
SCHEMBL4239910 0.77 MAOB (0.47) DHODHPARP1MAOBADORA2AADORA2B
SCHEMBL4244245 0.76 MAOB (0.65) KDM4EHPGDDHODHPARP1MAOB
SCHEMBL4243664 0.76 DHODH (0.62) KDM4EHPGDDHODHPARP1MAOB
SCHEMBL11020624 0.76 PKN1 (0.49) PARP1MAOBADORA2AADORA2BADORA1
SCHEMBL4241721 0.76 NPC1 (0.58) KDM4EHPGDMAOBADORA2AADORA2B
SCHEMBL4244787 0.76 MAOB (0.51) KDM4EHPGDDHODHPARP1MAOB
SCHEMBL27720114 0.75 KDM4E (0.57) KDM4EHPGDDHODHPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920314-B1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2003-08-27 EP disclosed
EP-0920314-A4 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
US-5981551-A GRANULOCYTE COLONY-STIMULATING FACTOR MIMETICS; TREATMENT OF NEUTROPENIA SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed
EP-0920314-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1999-06-09 EP disclosed
WO-1997044033-A1 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-27 WO disclosed