SCHEMBL28959992

SCHEMBL28959992

Cc1c(OCCCCl)cccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.49
▸ KDM4E B2RXH2 8/20 0.48
▸ MAPK1 P28482 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ADRB2 P07550 4/20 0.46
▸ PDCD1 Q15116 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ ADRB1 P08588 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GAA P10253 1/20 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
SCHEMBL27610244 0.87 KDM4E (0.51) HTR7KDM4EMAPK1TP53RAB9A
SCHEMBL29997368 0.87 KDM4E (0.51) HTR7KDM4EMAPK1TP53RAB9A
SCHEMBL11023081 0.84 TP53 (0.65) HTR7KDM4EMAPK1TP53RAB9A
SCHEMBL30668196 0.83 HTR1B (0.46) KDM4EMAPK1RAB9ACD274LMNA
SCHEMBL28960000 0.83 HTR1B (0.46) KDM4EMAPK1RAB9ACD274LMNA
SCHEMBL10677209 0.81 TP53 (0.49) HTR7KDM4EMAPK1TP53RAB9A
SCHEMBL29997360 0.81 PDCD1 (0.50) HTR7KDM4EMAPK1TP53RAB9A
SCHEMBL30394059 0.80 CD274 (0.39) KDM4EMAPK1TP53RAB9ACD274
SCHEMBL19897916 0.80 CD274 (0.39) KDM4EMAPK1TP53RAB9ACD274
SCHEMBL9482701 0.79 TP53 (0.62) HTR7KDM4EMAPK1TP53RAB9A

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-109863146-B Biaryl compounds as immunomodulators 百时美施贵宝公司 2023-02-28 — — CN disclosed
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