SCHEMBL30350041

SCHEMBL30350041

O=C1NC(=O)c2ccc(Oc3ccccc3)c3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ PARP1 P09874 2/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ RGS12 O14924 1/20 0.53
▸ USP2 O75604 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ BRCA1 P38398 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ GNAI1 P63096 1/20 0.53

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
SCHEMBL17948245 1.00 POLB (0.53) POLBMAPTKMT2APARP1NPSR1
SCHEMBL1198049 0.85 ADORA2A (0.50) POLBMAPTKMT2ANPSR1BCL2
SCHEMBL11716566 0.79 PRMT1 (0.49) POLBMAPTKMT2AMEN1RGS12
SCHEMBL6550616 0.79 PRMT1 (0.69) POLBMAPTKMT2APARP1NPSR1
SCHEMBL2040632 0.78 PARP1 (0.53) POLBMAPTKMT2APARP1NPSR1
SCHEMBL11712238 0.76 PRMT1 (0.49) POLBMAPTKMT2AMEN1RGS12
SCHEMBL5506330 0.76 MAOA (0.51) POLBMAPTKMT2APARP1NPSR1
SCHEMBL12032329 0.75 MCL1 (0.46) POLBMAPTKMT2ANPSR1BCL2
SCHEMBL28942602 0.75 PARP1 (0.61) POLBMAPTKMT2APARP1NPSR1
SCHEMBL2527574 0.75 MCL1 (0.51) POLBMAPTKMT2ANPSR1BCL2

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-113861142-B 2, 5-furandicarboxylic acid and preparation method thereof 新乡学院 2023-04-07 — — CN claimed
CN-113861142-B 2, 5-furandicarboxylic acid and preparation method thereof 新乡学院 2023-04-07 — — CN disclosed
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