SCHEMBL31574490

SCHEMBL31574490

O=C(O)c1cccc(N2N=C(c3cccc(-c4ccccc4)c3)CC2c2ccc3nccnc3c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.61
MEN1 O00255 8/20 0.61
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PRKCZ Q05513 3/20 0.48
NR3C2 P08235 1/20 0.48
PDE5A O76074 5/20 0.48
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL31574534 0.95 MEN1 (0.65) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL31574483 0.87 MEN1 (0.57) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL31574476 0.76 PTGS2 (0.64) KMT2AMEN1NPSR1L3MBTL1PRKCZ
SCHEMBL31574520 0.74 LMNA (0.49) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL23052332 0.70 KMT2A (0.73) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL1514533 0.70 MEN1 (0.67) KMT2AMEN1NPSR1ALDH1A1L3MBTL1
SCHEMBL31574517 0.69 KMT2A (0.61) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL23052466 0.68 LMNA (1.00) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL23052415 0.68 LMNA (1.00) KMT2AMEN1NPSR1LMNAALDH1A1
SCHEMBL14659832 0.68 KMT2A (0.69) KMT2AMEN1NPSR1LMNAALDH1A1

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-119998272-A Methanogen inhibitors 阿格里泽伦茨有限合伙公司 2025-05-13 CN disclosed