SCHEMBL31579783

SCHEMBL31579783

COc1ccc(Br)c2oc(=O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 3/20 0.44
▸ NQO2 P16083 4/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ KDM4E B2RXH2 5/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 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
SCHEMBL2172177 0.87 ALDH1A1 (0.43) ALDH1A1MAPTHPGDNQO2CYP19A1
SCHEMBL14361975 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHPGDNQO2CYP19A1
SCHEMBL17242697 0.76 NQO2 (0.51) ALDH1A1MAPTHPGDNQO2CYP19A1
SCHEMBL15567238 0.75 KDM4E (0.43) ALDH1A1MAPTHPGDKDM4ETSHR
SCHEMBL24204705 0.74 MCL1 (0.32) TSHRMCL1CA9
SCHEMBL26654650 0.70 MCL1 (0.42) ALDH1A1MAPTHPGDKDM4EGRIN2D
SCHEMBL26654849 0.70 CREBBP (0.38) ALDH1A1MAPTHPGDKDM4EGRIN2D
SCHEMBL15566523 0.70 GPR35 (0.39) HPGDKDM4EGRIN1GRIN2AGRIN2B
SCHEMBL31457779 0.70 CREBBP (0.38) ALDH1A1MAPTHPGDKDM4EGRIN2D
SCHEMBL2149816 0.69 PSMB8 (0.65) ALDH1A1MAPTHPGDNQO2KDM4E

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
WO-2025104443-A1 INHIBITORY COMPOUNDS STORM THERAPEUTICS LTD (GB) 2025-05-22 — — WO disclosed
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