SCHEMBL9196004

SCHEMBL9196004

CCCC(=O)[N+]#Cc1ccccc1-c1ccc(CNc2c(C(=O)OC)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 12/20 0.42
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9443122 0.90 FNTA (0.37) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL9199570 0.87 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL3974805 0.86 HPGD (0.37) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL2598198 0.84 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL31722799 0.84 BDKRB1 (0.47) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL9197854 0.84 ALDH1A1 (0.39) HPGDSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL3974372 0.83 BDKRB1 (0.48) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL9287748 0.82 ALDH1A1 (0.39) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT
SCHEMBL7009871 0.79 HPGD (0.44) BDKRB1HPGDSMN1; SMN2ALDH1A1
SCHEMBL3976878 0.78 ALDH1A1 (0.46) BDKRB1HPGDSMN1; SMN2ALDH1A1MAPT

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-0425921-B1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-09 EP disclosed
EP-0425921-A1 Benzimidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-05-08 EP disclosed