SCHEMBL18686228

SCHEMBL18686228

CCCCCCc1nccn1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
RARB P10826 2/20 0.38
TLR7 Q9NYK1 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
SCD O00767 1/20 0.37

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
SCHEMBL729229 1.00 AGTR1 (0.40) AGTR1AGTR2RARBTLR7HCAR2
SCHEMBL1978411 0.93 AGTR1 (0.44) AGTR1AGTR2ALDH1A1POLBKMT2A
SCHEMBL28236700 0.89 TLR7 (0.40) AGTR1AGTR2RARBTLR7ALDH1A1
SCHEMBL12199191 0.84 LPO (0.40) AGTR1AGTR2TLR7ALDH1A1POLB
SCHEMBL28701458 0.82 FDPS (0.39) ALDH1A1KMT2A
SCHEMBL4256418 0.82 AGTR1 (0.41) AGTR1AGTR2TLR7ALDH1A1POLB
SCHEMBL27888203 0.81 FDPS (0.54) AGTR1AGTR2KMT2ALMNATSHR
SCHEMBL9369991 0.81 FNTA (0.36) AGTR1AGTR2ALDH1A1POLBKMT2A
SCHEMBL27690028 0.80 AGTR1 (0.41) AGTR1AGTR2ALDH1A1POLBKMT2A
Acetic Acid SCHEMBL28317766 0.79 FNTA (0.46) AGTR1AGTR2RARBTLR7HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649060-B1 PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES AND ITS SALTS MSN LAB LTD (IN) 2017-04-05 EP claimed