SCHEMBL31529328

SCHEMBL31529328

CCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](Nc2ncnc3nc[nH]c23)O[C@H]1CO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.68
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ AURKA O14965 1/20 0.40
▸ BRD4 O60885 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34

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
SCHEMBL31529254 0.99 PAX8 (0.69) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529157 0.99 PAX8 (0.69) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529313 0.98 PAX8 (0.68) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529249 0.92 PAX8 (0.59) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529331 0.88 PAX8 (0.54) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529119 0.88 PAX8 (0.54) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529280 0.87 PAX8 (0.57) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529081 0.87 PAX8 (0.57) PAX8HDAC1HDAC2AURKABRD4
SCHEMBL31529336 0.87 PAX8 (0.60) PAX8HDAC1HDAC2BRD4SMN1; SMN2
SCHEMBL31529348 0.86 PAX8 (0.58) PAX8HDAC1HDAC2BRD4SMN1; SMN2

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-2025090774-A1 CHEMOTHERAPEUTIC COMPOUNDS AND METHODS OF USE SEAGEN INC. (US) 2025-05-01 — — WO disclosed
Send feedback