SCHEMBL28424985

SCHEMBL28424985

Cc1c(C2=CC=CCC2(C)N)cccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 7/20 0.37
CD274 Q9NZQ7 7/20 0.37
ADRA2A P08913 1/20 0.32
HTR7 P34969 1/20 0.32
ADRA1A P35348 1/20 0.32
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3787158 0.82 CYP3A4 (0.38) TSHRALDH1A1
SCHEMBL1153470 0.81 MAOA (0.33)
SCHEMBL22171381 0.80 TP53 (0.31)
Hydrochloric Acid SCHEMBL29213071 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL15673021 0.72 RARB (0.36) ALDH1A1HSD17B10
SCHEMBL3790447 0.72 MAOA (0.39) TSHRKMT2AALDH1A1
SCHEMBL2873957 0.71 HNF4A (0.33) ALDH1A1HSD17B10
SCHEMBL25785668 0.70 PDCD1 (0.64) PDCD1CD274ADRA2AHTR7ADRA1A
SCHEMBL29567039 0.68 PNMT (0.33) ALDH1A1HSD17B10
SCHEMBL30879937 0.68 ALDH1A1 (0.36) TSHRKMT2AALDH1A1

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
CN-111410640-A Biphenyl tetramine compound and organic electroluminescent device 长春海谱润斯科技有限公司 2020-07-14 CN disclosed