SCHEMBL28736205

SCHEMBL28736205

O=C(O)Cc1ccccc1NC(=O)c1c[nH]c2ccc(Br)nc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 1/20 0.45
▸ CFTR P13569 2/20 0.45
▸ NR1H4 Q96RI1 2/20 0.43
▸ CFD P00746 5/20 0.41
▸ TYMS P04818 1/20 0.41
▸ SUCNR1 Q9BXA5 5/20 0.41
▸ BCAT2 O15382 2/20 0.40
▸ F11 P03951 2/20 0.40
▸ TPSB2 P20231 1/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ KDR P35968 1/20 0.38

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
SCHEMBL23219236 0.86 CFTR (0.45) NHERF1CFTR
SCHEMBL29852931 0.86 CFTR (0.45) NHERF1CFTR
SCHEMBL29592746 0.78 CFD (0.67) CFDSUCNR1F11TPSB2
SCHEMBL23219169 0.78 CFD (0.67) CFDSUCNR1F11TPSB2
SCHEMBL5480973 0.77 CFTR (0.64) NHERF1CFTRNR1H4
SCHEMBL23195348 0.72 F7 (0.44) ADORA2A
SCHEMBL29592699 0.72 F7 (0.44) ADORA2A
SCHEMBL14855928 0.70 NR1H4 (0.66) NR1H4CFDSUCNR1BCAT2F11
SCHEMBL30390687 0.69 STING1 (0.34) ADORA2AKDR
SCHEMBL26658318 0.69 STING1 (0.34) ADORA2AKDR

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-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 — — CN disclosed
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