SCHEMBL29484232

SCHEMBL29484232

c1ccc(-c2ccc(-c3ccccc3Cc3ccc(Cc4ccccc4-c4ccc(-c5ccccc5)cc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.54
TAAR1 Q96RJ0 2/20 0.46
KMT2A Q03164 1/20 0.46
FOLH1 Q04609 1/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ABCC4 O15439 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
HTT P42858 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTR2A P28223 1/20 0.41
KEAP1 Q14145 1/20 0.41
FFAR1 O14842 2/20 0.41

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
SCHEMBL29484236 1.00 DPP4 (0.54) DPP4TAAR1KMT2AFOLH1PDCD1
SCHEMBL340250 0.91 DPP4 (0.58) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL31070319 0.91 DPP4 (0.58) DPP4KMT2AFOLH1PDCD1CD274
Hydrogen Sulfide SCHEMBL27779487 0.89 DPP4 (0.56) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL11538945 0.87 NOTUM (0.48) DPP4
SCHEMBL9407146 0.86 DPP4 (0.48) DPP4KMT2AFOLH1LMNAFFAR1
SCHEMBL7009110 0.86 PTGER4 (0.51) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL11197019 0.86 HTR7 (0.49) DPP4KMT2AFOLH1PDCD1CD274
SCHEMBL31488714 0.86 DPP4 (0.53) DPP4TAAR1KMT2AFOLH1TSHR
SCHEMBL27768912 0.86 KEAP1 (0.60) DPP4KMT2AFOLH1PDCD1CD274

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-110628021-B Side chain type sulfonated polyquinoxaline and proton exchange membrane thereof 北京理工大学 2022-03-18 CN disclosed