SCHEMBL28905231

SCHEMBL28905231

CC(=O)OC(=O)Cc1nc(C)c(C)nc1C.O=Cc1sc2ccc(-c3ccc(C(=O)O)cc3)cc2c1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TRIM24 O15164 1/20 0.30
▸ TRIM33 Q9UPN9 1/20 0.30
▸ PTPN11 Q06124 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
SCHEMBL28905230 0.89 ERN1 (0.30) ERN1
SCHEMBL30566650 0.79 ERN1 (0.46) ERN1TBXAS1TRIM24TRIM33
SCHEMBL28506832 0.76 ALDH1A1 (0.46) SMN1; SMN2TRIM24TRIM33
SCHEMBL28906107 0.76 ERN1 (0.36) ERN1NPC1RAB9ATRIM24TRIM33
SCHEMBL28510834 0.75 POLB (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL28509405 0.75 PDGFRB (0.41) ERN1NPC1RAB9ASMN1; SMN2TRIM24
SCHEMBL28513281 0.74 CHEK1 (0.36) —
SCHEMBL28499526 0.72 ERN1 (0.33) ERN1
SCHEMBL28513693 0.72 PDGFRB (0.44) ERN1TRIM24TRIM33
SCHEMBL28507426 0.72 ERN1 (0.36) ERN1NPC1RAB9ASMN1; SMN2TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112028875-B Anhydride compounds of PGI2 protein agonist and TXA2 protein inhibitor 南昌弘益科技有限公司 2023-08-15 — — CN disclosed
CN-112028875-A Anhydride compounds of PGI2 protein agonist and TXA2 protein inhibitor 南昌弘益科技有限公司 2020-12-04 — — CN disclosed
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