SCHEMBL11272019

SCHEMBL11272019

Cc1nccc(-c2ccc3[nH]c(O)nc3c2)c1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.36
BRD4 O60885 8/20 0.35
TLR8 Q9NR97 6/20 0.35
GRM4 Q14833 1/20 0.35
TLR9 Q9NR96 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
ACVR1 Q04771 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
MAP4K1 Q92918 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
SCHEMBL11302095 0.86 PRKCI (0.49) PRKCIBRD4TLR8GRM4TLR9
SCHEMBL11272286 0.83 PRKCI (0.36) PRKCIBRD4TLR8GRM4TLR9
SCHEMBL11263840 0.80 KDM4C (0.38) PRKCIBRD4TLR8GRM4TLR9
SCHEMBL11261025 0.78 ABL1 (0.44) TLR8TLR9TLR7GSK3BCDK5
SCHEMBL11268351 0.73 TLR8 (0.39) TLR8TLR9TLR7
SCHEMBL11274521 0.72 NPC1 (0.49) TLR8TLR9TLR7
SCHEMBL11271334 0.72 SREBF2 (0.41) TLR9TLR7CDK5CDK5R1
SCHEMBL11260816 0.71 PDE3B (0.49) ACVR1PDE3BPDE3ACDK5
SCHEMBL18966976 0.70 CYP1A2 (0.48)
Hydrochloric Acid SCHEMBL11259322 0.70 PDE3B (0.47) ACVR1PDE3BPDE3ACDK5

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
EP-0055453-A2 5-(Pyridinyl)-benzimidazole derivatives and preparation STERLING DRUG INC. (US) 1982-07-07 EP disclosed
US-4335132-A 5-(Py-Y)-1H-benzimidazol-2-ols and 5-(Py-Y-)-1H-benzimidazole-2-thiols STERLING DRUG, INC. (US) 1982-06-15 US disclosed