SCHEMBL29797997

SCHEMBL29797997

NC(=O)c1ccc(C(=O)C2(Sc3nnnn3-c3ccccc3C(=O)O)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.44
▸ ATM Q13315 1/20 0.44
▸ MEN1 O00255 8/20 0.41
▸ KMT2A Q03164 8/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HPGD P15428 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALPL P05186 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ PPARG P37231 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
SCHEMBL29798219 0.88 HPGD (0.35) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL29798045 0.84 ALDH1A1 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL21952020 0.83 MAPK1 (0.53) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL24209741 0.78 HPGD (0.57) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL30296113 0.78 KMT2A (0.56) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL24019614 0.76 TSHR (0.53) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL14557267 0.72 ALDH1A1 (0.48) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21952062 0.70 HPGD (0.47) MAPK1ATMMEN1KMT2AALDH1A1
SCHEMBL21952090 0.69 RECQL (0.53) MAPK1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL29798043 0.67 MAPT (0.50) MAPK1MEN1KMT2AALDH1A1SMN1; 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 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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