SCHEMBL24029273

SCHEMBL24029273

Nc1ccc(CCSc2nnnn2-c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.65
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ ATM Q13315 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ PPARG P37231 1/20 0.54
▸ TSHR P16473 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ TP53 P04637 1/20 0.46

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
SCHEMBL24209699 0.90 HPGD (0.79) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL24019599 0.79 HPGD (1.00) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL24019591 0.78 SMN1; SMN2 (0.69) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL24019594 0.77 TP53 (0.72) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL24019601 0.77 HPGD (0.62) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL21951986 0.76 MAPT (0.71) HPGDMEN1KMT2AMAPK1ALDH1A1
SCHEMBL24019574 0.76 HPGD (0.80) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL16268464 0.76 TSHR (0.80) HPGDMEN1KMT2AMAPK1ATM
SCHEMBL24029199 0.76 ALDH1A1 (0.70) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL22010011 0.75 HPGD (0.67) HPGDMEN1KMT2AMAPK1ATM

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
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