SCHEMBL6985345

SCHEMBL6985345

Cc1ccc2[nH]c(NC(=N)N)nc2c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRM1 P35372 1/20 0.34
CHEK1 O14757 1/20 0.34
MAOB P27338 2/20 0.33
ADORA2A P29274 2/20 0.33
IDH2 P48735 1/20 0.33
RPS6KA3 P51812 1/20 0.33
HPSE Q9Y251 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32

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 SCHEMBL11784418 0.98 EGLN1 (0.40) CBFBEGLN1ADAMTS5CYP3A4NPC1
SCHEMBL6993967 0.85 VSIR (0.36) CYP3A4NPC1RAB9AMAOBADORA2A
SCHEMBL6972586 0.82 HPSE (0.46) CBFBNPC1RAB9ASMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL11786682 0.81 HPSE (0.45) CBFBNPC1RAB9ASMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL11789101 0.81 HPSE (0.45) CBFBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL16342366 0.79 CBFB (0.45) CBFBEGLN1ADAMTS5NPC1RAB9A
SCHEMBL9419432 0.76 MEN1 (0.36) CYP3A4NPC1RAB9AIDH2RPS6KA3
SCHEMBL5924200 0.76 MAOB (0.41) CYP3A4NPC1RAB9ASMN1; SMN2MAOB
SCHEMBL11784591 0.74 CBFB (0.44) CBFBEGLN1ADAMTS5NPC1RAB9A
SCHEMBL12724890 0.74 CBFB (0.44) CBFBEGLN1ADAMTS5NPC1RAB9A

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-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
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-3935314-A Anti-hypertensive compositions of benzimidazole derivatives BEECHAM GROUP LIMITED (EN) 1976-01-27 US disclosed