SCHEMBL6972586

SCHEMBL6972586

Cc1cccc2[nH]c(NC(=N)N)nc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.46
MGAM O43451 13/20 0.46
GAA P10253 13/20 0.46
SI P14410 13/20 0.46
MGAM2 Q2M2H8 13/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 1/20 0.41
CBFB Q13951 1/20 0.41
MAOB P27338 1/20 0.41
ADORA2A P29274 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
Hydrochloric Acid SCHEMBL11786682 0.98 HPSE (0.45) HPSEMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL11789101 0.98 HPSE (0.45) HPSEMGAMGAASIMGAM2
SCHEMBL6985345 0.82 CBFB (0.40) HPSEKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3413861 0.81 HPSE (0.55) HPSEMGAMGAASIMGAM2
Hydrochloric Acid SCHEMBL11784418 0.81 EGLN1 (0.40) HPSEKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL11576683 0.80 HPSE (0.53) HPSEMGAMGAASIMGAM2
SCHEMBL6984307 0.79 MGAM (0.49) HPSEMGAMGAASIMGAM2
SCHEMBL9419432 0.79 MEN1 (0.36) NPC1RAB9AHSD17B10ESR1
SCHEMBL6988487 0.78 KDM4E (0.51) KDM4EHPGDMAOBADORA2A
SCHEMBL4900862 0.78 ADORA2A (0.52) HPSEMGAMGAASIMGAM2

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 10 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-1155014-B1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA AB (SE) 2003-06-04 EP disclosed
US-6329383-B1 THESE COMPOUNDS ARE USEFUL AS A HUMAN GROWTH HORMONE (HGH) MIMETIC, WHICH TRIGGER GH AGONIST EFFECTS IN ANIMALS AND ESPECIALLY AS AN ORALLY AVAILABLE HUMAN GROWTH HORMONE (HGH). PHARMACIA AB (SE) 2001-12-11 US disclosed
EP-1155014-A1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia AB (SE) 2001-11-21 EP disclosed
EP-0920314-A4 NON-PEPTIDE G-CSF MIMETICS SMITHKLINE BEECHAM CORP (US) 2001-08-16 EP disclosed
WO-2000043387-A1 NEW BENZIMIDAZOLE COMPOUNDS FOR USE AS ACTIVE THERAPEUTIC SUBSTANCES, PROCESS FOR THE PREPARATION OF THESE COMPOUDNS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA AB (SE) 2000-07-27 WO 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
US-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 US disclosed