SCHEMBL31504573

SCHEMBL31504573

COC(=O)c1ccc2c(I)nn(C3CC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ ATM Q13315 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ AXL P30530 3/20 0.42
▸ TYRO3 Q06418 3/20 0.42
▸ MERTK Q12866 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ CASP7 P55210 2/20 0.41
▸ PABPC1 P11940 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 2/20 0.40
▸ POLB P06746 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CNR2 P34972 2/20 0.39

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
SCHEMBL23535683 1.00 ALDH1A1 (0.43) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL20594787 0.90 ALDH1A1 (0.43) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL23559846 0.86 AXL (0.43) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL31632983 0.85 AXL (0.42) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL18816227 0.83 DGAT2 (0.45) ALDH1A1ATMSMN1; SMN2NPSR1HSD17B10
SCHEMBL31522407 0.80 ALDH1A1 (0.47) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL730909 0.80 ALDH1A1 (0.45) ALDH1A1ATMSMN1; SMN2NPSR1HSD17B10
SCHEMBL7981717 0.78 MERTK (0.44) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL3605146 0.78 MERTK (0.46) ALDH1A1ATMSMN1; SMN2NPSR1AXL
SCHEMBL7971299 0.77 MERTK (0.48) ALDH1A1ATMSMN1; SMN2NPSR1AXL

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-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 — — CN disclosed
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