SCHEMBL30566650

SCHEMBL30566650

O=Cc1sc2ccc(-c3ccc(C(=O)O)cc3)cc2c1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.46
▸ TRIM24 O15164 1/20 0.46
▸ TRIM33 Q9UPN9 1/20 0.46
▸ TBXAS1 P24557 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ RXRA P19793 4/20 0.37
▸ RXRB P28702 4/20 0.37
▸ BCL2L1 Q07817 1/20 0.37
▸ BAD Q92934 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ GRIK1 P39086 1/20 0.36
▸ GRIK2 Q13002 1/20 0.36
▸ GRIK3 Q13003 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ RXRG P48443 1/20 0.35
▸ BCL2 P10415 1/20 0.35

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
SCHEMBL2947143 0.83 ERN1 (0.46) ERN1TRIM24TRIM33TBXAS1KDM4E
SCHEMBL28905231 0.79 ERN1 (0.31) ERN1TRIM24TRIM33TBXAS1
SCHEMBL24735751 0.78 KDM4E (0.49) ERN1TRIM24TRIM33KDM4ELMNA
SCHEMBL2258945 0.75 ALDH1A1 (0.44) ERN1KDM4ELMNAHSD17B10ALDH1A1
SCHEMBL2951760 0.74 RXRA (0.43) ERN1TRIM24TRIM33TBXAS1KDM4E
SCHEMBL2943727 0.71 ERN1 (0.55) ERN1TRIM24TRIM33KDM4ELMNA
SCHEMBL2951665 0.69 ERN1 (0.51) ERN1KDM4ELMNAALDH1A1TDP1
SCHEMBL24735745 0.69 KDM4E (0.49) ERN1TRIM24TRIM33KDM4ELMNA
SCHEMBL2951733 0.68 RXRA (0.45) TBXAS1KDM4ELMNAHSD17B10RXRA
SCHEMBL25279594 0.67 TBXAS1 (0.49) TBXAS1KDM4ELMNAALDH1A1TDP1

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-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
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