SCHEMBL9530798

SCHEMBL9530798

CCCCc1nc2c(C)c(Cl)c(Cl)c(C(=O)O)c2n1-c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
NOTUM Q6P988 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
SLC6A4 P31645 3/20 0.38
DHODH Q02127 1/20 0.38
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 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
SCHEMBL9532236 0.85 NOTUM (0.41) ALDH1A1NOTUMTLR7
SCHEMBL9537616 0.83 NOTUM (0.46) ALDH1A1NOTUM
SCHEMBL9422896 0.81 NOTUM (0.44) ALDH1A1NOTUM
SCHEMBL9422754 0.80 NOTUM (0.44) ALDH1A1NOTUM
SCHEMBL9856773 0.74 ALDH1A1 (0.46) ALDH1A1HTR2AHTR2CSLC6A4KMT2A
SCHEMBL9754909 0.71 TLR8 (0.37) ALDH1A1TLR7HTR2AHTR2CSLC6A4
SCHEMBL6968208 0.70 TLR8 (0.45) ALDH1A1TLR8
SCHEMBL27461046 0.70 ALDH1A1 (0.42) ALDH1A1HTR2AHTR2CSLC6A4TLR8
SCHEMBL7270020 0.69 ALDH1A1 (0.41) ALDH1A1HTR2AHTR2CSLC6A4KMT2A
SCHEMBL7270215 0.69 AGTR1 (0.47) ALDH1A1TLR8

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-0525129-A4 SUBSTITUTED BENZIMIDAZOLES 1993-03-24 EP disclosed
EP-0525129-A1 SUBSTITUTED BENZIMIDAZOLES SMITHKLINE BEECHAM CORPORATION (US) 1993-02-03 EP disclosed