SCHEMBL31396269

SCHEMBL31396269

N#Cc1cccc(CNC(=O)CSc2nnnn2-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ HPGD P15428 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TSHR P16473 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ RECQL P46063 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL21952060 1.00 KMT2A (0.58) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL22010389 0.86 HPGD (0.69) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL31396394 0.86 MEN1 (0.61) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL21952070 0.86 MEN1 (0.61) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL24209790 0.85 NPSR1 (0.64) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL21952075 0.85 MEN1 (0.65) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL31396071 0.85 MEN1 (0.65) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL28676728 0.84 HPGD (0.53) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL12717727 0.83 MEN1 (0.70) KMT2AMEN1NPSR1HPGDALDH1A1
SCHEMBL21952023 0.83 ALDH1A1 (0.58) KMT2AMEN1NPSR1HPGDALDH1A1

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
CN-115768422-B Ubiquitin ligase inhibitors for the treatment of cancer 诺沃亚桑托斯教授基金会 2025-03-04 — — CN disclosed
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