SCHEMBL28503423

SCHEMBL28503423

O=C1c2ccccc2C(=O)N1I.[KH]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ CASP3 P42574 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ EHMT2 Q96KQ7 2/20 0.43
▸ EHMT1 Q9H9B1 2/20 0.43
▸ CDC25B P30305 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ APAF1 O14727 2/20 0.42
▸ TDP2 O95551 2/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GLS O94925 1/20 0.41
▸ MAOA P21397 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CES2 O00748 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ PLIN1 O60240 1/20 0.41
▸ S1PR4 O95977 1/20 0.41

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
SCHEMBL487827 0.97 POLB (0.48) POLBCASP3KMT2AMEN1EHMT2
SCHEMBL6135716 0.85 CES1 (0.47) POLBCASP3KMT2AMEN1EHMT2
SCHEMBL22651544 0.80 DPP4 (0.43) POLBCASP3KMT2AMEN1EHMT2
SCHEMBL21449882 0.77 GSTP1 (0.40) POLBKMT2AMEN1KDM4ENPC1
SCHEMBL28160078 0.77 POLB (0.64) POLBCASP3KMT2AMEN1EHMT2
SCHEMBL2022462 0.77 POLB (0.64) POLBCASP3KMT2AMEN1EHMT2
SCHEMBL21099252 0.75 ERCC1 (0.63) KMT2AMEN1CYP1A2KDM4ECES2
SCHEMBL4694772 0.74 ALDH1A1 (0.43) POLBCASP3CDC25BCYP1A2KDM4E
SCHEMBL21921317 0.74 POLB (0.43) POLBKMT2AMEN1CYP1A2APAF1
SCHEMBL23254941 0.74 HTR1A (0.50) POLBKMT2AMEN1KDM4ENPC1

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-112105385-A IRAK degrading agents and uses thereof 凯麦拉医疗公司 2020-12-18 — — CN disclosed
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