SCHEMBL31372228

SCHEMBL31372228

CC(C)(C)OC(=O)CCNC(=O)COc1ccc2c(c1)CCCN2C(=O)CCl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.45
▸ PARP2 Q9UGN5 1/20 0.45
▸ ALDH1A1 P00352 8/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 5/20 0.41
▸ TP53 P04637 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ PDK1 Q15118 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ PDK3 Q15120 1/20 0.41
▸ PDK4 Q16654 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL22075936 0.92 PARP1 (0.43) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL22075928 0.92 PARP1 (0.43) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL22075960 0.89 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL30369865 0.89 MAPT (0.48) ALDH1A1MEN1KMT2AMAPTTP53
SCHEMBL22111194 0.86 PDK2 (0.42) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL22075945 0.85 POLB (0.40) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL23499604 0.81 PARP1 (0.52) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL30145026 0.81 PARP1 (0.52) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL30457557 0.81 HPGD (0.46) PARP1PARP2ALDH1A1MEN1KMT2A
SCHEMBL29040445 0.81 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
WO-2025034789-A1 ARYLBENZOISOXAZOLE COMPOUNDS AS IP6K AND IPMK DEGRADERS AND METHODS OF USE THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2025-02-13 — — WO disclosed
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