SCHEMBL24029355

SCHEMBL24029355

CC(C)(C)OC(=O)c1ccc(-n2c(SCC=O)nc3sccc3c2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.50
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ GAA P10253 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SLC22A12 Q96S37 5/20 0.38
▸ PDE4D Q08499 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ PDE7B Q9NP56 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATM Q13315 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
SCHEMBL24029354 0.82 POLB (0.41) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL24029049 0.71 POLB (0.66) POLBMEN1KMT2ASLC22A12PDE4D
SCHEMBL24029349 0.66 RXFP1 (0.61) POLBMEN1KMT2AGAARXFP1
SCHEMBL109451 0.60 CA1 (0.61) ALDH1A1
SCHEMBL13979875 0.60 CA1 (0.47) MEN1KMT2AALDH1A1
SCHEMBL1185621 0.59 ALDH1A1 (0.63) ALDH1A1MAPT
SCHEMBL29032101 0.58 HSP90AA1 (0.62) ALDH1A1
SCHEMBL1704550 0.57 CYP2D6 (0.73) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL38810 0.57 CA12 (0.59) MEN1KMT2AGAAALDH1A1LMNA
SCHEMBL1900302 0.57 MPI (0.70) ALDH1A1MAPTSMN1; SMN2RAB9A

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-2021229035-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2021-11-18 — — WO disclosed
Send feedback