SCHEMBL29209093

SCHEMBL29209093

CCC1(Br)Oc2ccccc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PARP1 P09874 1/20 0.40
▸ ALPL P05186 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ ALPI P09923 1/20 0.40
▸ ALPG P10696 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ BRD4 O60885 2/20 0.37
▸ CREBBP Q92793 2/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ HTT P42858 1/20 0.36

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
SCHEMBL29209123 0.77 MAPT (0.47) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL24306740 0.74 MAPT (0.42) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL28870981 0.73 POLB (0.43) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL1450379 0.73 BRD4 (0.51) MAPTPOLBHSD17B10PARP1ALOX5
SCHEMBL18128201 0.70 POLB (0.49) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL26771562 0.70 POLB (0.40) MAPTPOLBHSD17B10PARP1ALDH1A1
SCHEMBL13901417 0.69 POLB (0.48) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL16163265 0.68 ALOX5 (0.43) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL15492720 0.68 BRD4 (0.45) MAPTPOLBHSD17B10PARP1ALPL
SCHEMBL29209006 0.68 NISCH (0.47) MAPTALPLMEN1GAAKMT2A

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-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 — — CN disclosed
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