SCHEMBL29134323

SCHEMBL29134323

COC(=O)NC1COc2cc(Br)cc(OC)c21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ FAAH O00519 2/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ MTNR1A P48039 1/20 0.33
▸ PLK1 P53350 1/20 0.33
▸ XIAP P98170 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HTR1A P08908 1/20 0.33

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
SCHEMBL29134891 0.84 RIPK1 (0.32) MTNR1AKMT2A
SCHEMBL30016207 0.76 KMT2A (0.40) MALT1HTR2AALDH1A1KMT2A
SCHEMBL29134330 0.76 KMT2A (0.40) MALT1HTR2AALDH1A1KMT2A
SCHEMBL30015645 0.76 KMT2A (0.40) MALT1HTR2AALDH1A1KMT2A
SCHEMBL30015936 0.75 PDE4A (0.39) PIM1FAAHCNR2MAPTMTNR1A
SCHEMBL29134358 0.75 PDE4A (0.39) PIM1FAAHCNR2MAPTMTNR1A
SCHEMBL30015792 0.73 HTR2A (0.38) HTR2AHTR1A
SCHEMBL29134906 0.70 MTNR1A (0.37) MTNR1A
SCHEMBL17478440 0.67 MALT1 (0.51) MALT1MAPTMTNR1A
SCHEMBL17478439 0.67 MALT1 (0.51) MALT1MAPTMTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 — — EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 — — CN disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 — — WO disclosed
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