SCHEMBL31574476

SCHEMBL31574476

O=C(O)c1ccc(N2N=C(c3ccc(Cl)cc3)CC2c2ccc3nccnc3c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.64
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
PRKCZ Q05513 3/20 0.56
ATM Q13315 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NR3C2 P08235 7/20 0.55
NPSR1 Q6W5P4 1/20 0.55
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
PDE5A O76074 5/20 0.53
PGR P06401 1/20 0.52

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
SCHEMBL31574483 0.89 MEN1 (0.57) PTGS2MEN1KMT2AL3MBTL1PRKCZ
SCHEMBL31574534 0.81 MEN1 (0.65) PTGS2MEN1KMT2AL3MBTL1PRKCZ
SCHEMBL23052325 0.79 MEN1 (0.69) PTGS2MEN1KMT2ANPSR1EGFR
SCHEMBL31574551 0.78 MEN1 (0.51) MEN1KMT2APRKCZNPSR1
SCHEMBL31574520 0.78 LMNA (0.49) PTGS2MEN1KMT2APRKCZATM
SCHEMBL31574604 0.77 KMT2A (0.59) MEN1KMT2ANPSR1EGFR
SCHEMBL31574522 0.77 MEN1 (0.59) MEN1KMT2AL3MBTL1NPSR1
SCHEMBL31574511 0.77 KMT2A (0.59) MEN1KMT2ANPSR1EGFR
SCHEMBL23052327 0.76 MEN1 (0.59) PTGS2MEN1KMT2ANPSR1EGFR
SCHEMBL31574490 0.76 KMT2A (0.61) MEN1KMT2AL3MBTL1PRKCZATM

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