SCHEMBL11276129

SCHEMBL11276129

CCCCCc1cc(N)c(N)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TLR8 Q9NR97 4/20 0.41
CYP3A4 P08684 3/20 0.39
TYR P14679 2/20 0.39
ALOX5 P09917 2/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CD44 P16070 1/20 0.37
HTR2A P28223 1/20 0.37
PTGS2 P35354 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL20012353 0.88 SKP2 (0.46) SKP2ALDH1A1TLR8CYP3A4TYR
SCHEMBL18428550 0.85 ALOX5 (0.47) TLR8CYP3A4TYRALOX5TSHR
SCHEMBL13375177 0.85 ALDH1A1 (0.48) SKP2ALDH1A1CYP3A4TSHRTP53
SCHEMBL29739851 0.85 ALOX5 (0.47) TLR8CYP3A4TYRALOX5TSHR
SCHEMBL14681822 0.85 ALOX5 (0.47) TLR8CYP3A4TYRALOX5TSHR
SCHEMBL840888 0.85 ALOX5 (0.47) TLR8CYP3A4TYRALOX5TSHR
SCHEMBL23093069 0.83 ALDH1A1 (0.59) SKP2ALDH1A1TLR8CYP3A4TYR
SCHEMBL11114074 0.82 TLR8 (0.46) SKP2TLR8CYP3A4TYRALOX5
SCHEMBL20816041 0.82 ALOX5 (0.48) ALDH1A1CYP3A4TYRALOX5TSHR
Hydrochloric Acid SCHEMBL10861940 0.82 ALOX5 (0.47) ALDH1A1CYP3A4TYRALOX5TSHR

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
US-4344957-A Benz-acyl-benzimidazole derivatives and antiallergic compositions CIBA-GEIGY CORPORATION (US) 1982-08-17 US disclosed