SCHEMBL22009336

SCHEMBL22009336

N/N=C(/SC1(C(=O)N2CCc3cc(C(N)=O)ccc32)CC1)N(N)c1ccc(C(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC7 Q8WUI4 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.33
▸ USP30 Q70CQ3 4/20 0.33
▸ RORC P51449 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ HSD17B3 P37058 1/20 0.32

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
SCHEMBL22009404 0.89 KDM1A (0.37) HDAC1HDAC8HDAC6USP30
SCHEMBL22010396 0.82 NPC1 (0.36) POLBHDAC1HDAC8HDAC6HDAC3
SCHEMBL22010402 0.77 PARP15 (0.36) POLB
SCHEMBL22010399 0.77 NPC1 (0.38) POLBPDK1PDK2PDK3PDK4
SCHEMBL22010401 0.74 SLC16A3 (0.34) POLBUSP30RORCALDH1A1SMN1; SMN2
SCHEMBL22009391 0.72 NOTUM (0.43) POLBHDAC1HDAC6ALDH1A1MAPT
SCHEMBL22016313 0.72 SLC22A12 (0.40) POLBPDK1PDK2PDK3PDK4
SCHEMBL22009392 0.72 TRIM24 (0.38) POLBL3MBTL1HDAC1HDAC8HDAC6
SCHEMBL22009701 0.70 TAS2R14 (0.36) ALDH1A1
SCHEMBL22009347 0.68 MEN1 (0.33) POLBCYP2C19ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909577-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2021-11-17 — — EP disclosed
WO-2020099652-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2020-05-22 — — WO disclosed
EP-3653208-A1 COMPOUNDS THAT SELECTIVELY AND EFFECTIVELY INHIBIT HAKAI-MEDIATED UBIQUITINATION, AS ANTI-CANCER DRUGS Fundación Profesor Novoa Santos (ES) 2020-05-20 — — EP disclosed
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