SCHEMBL29798045

SCHEMBL29798045

CS(=O)(=O)Nc1ccc(C(=O)C2(Sc3nnnn3-c3ccccc3C(=O)O)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ KMT2A Q03164 5/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PTGS2 P35354 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ BCL2 P10415 1/20 0.33
▸ BECN1 Q14457 1/20 0.33

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
SCHEMBL21952003 0.85 MEN1 (0.45) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL29797997 0.84 MAPK1 (0.44) ALDH1A1KMT2AMEN1LMNAHPGD
SCHEMBL29798219 0.82 HPGD (0.35) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL29798210 0.80 MAPT (0.47) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL24209741 0.73 HPGD (0.57) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL14557267 0.69 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL21952020 0.67 MAPK1 (0.53) ALDH1A1KMT2AMEN1HPGDGAA
SCHEMBL21952062 0.66 HPGD (0.47) ALDH1A1KMT2AMEN1MAPTHPGD
SCHEMBL29798098 0.65 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL21952090 0.64 RECQL (0.53) ALDH1A1KMT2AMEN1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4149461-A1 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER Fundación Profesor Novoa Santos (ES) 2023-03-22 — — EP disclosed
WO-2021229035-A9 UBIQUITIN-LIGASE INHIBITORS FOR THE TREATMENT OF CANCER FUNDACIÓN PROFESOR NOVOA SANTOS (ES) 2022-09-09 — — WO disclosed
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