SCHEMBL30144976

SCHEMBL30144976

CNCCCCCNC(=O)COc1ccc2c(c1)CCCN2C(=O)COC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 5/20 0.45
▸ TSHR P16473 3/20 0.45
▸ TP53 P04637 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HSD17B10 Q99714 3/20 0.44
▸ KDM4E B2RXH2 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ PDK3 Q15120 1/20 0.42

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
SCHEMBL23499607 1.00 PARP1 (0.46) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL23499613 0.93 ALDH1A1 (0.46) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL23499605 0.85 ALDH1A1 (0.43) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL23499604 0.83 PARP1 (0.52) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL30145026 0.83 PARP1 (0.52) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL23499609 0.81 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL30447282 0.80 PDK1 (0.62) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL23499615 0.79 PARP1 (0.49) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL29040445 0.79 HPGD (0.46) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL30457557 0.79 HPGD (0.46) PARP1PARP2ALDH1A1MEN1KMT2A

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
EP-4072591-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-10-19 — — EP disclosed
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