SCHEMBL29051122

SCHEMBL29051122

O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)NC(CO)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 3/20 0.52
HDAC1 Q13547 10/20 0.51
HDAC2 Q92769 10/20 0.51
RAB9A P51151 1/20 0.51
USP2 O75604 1/20 0.49
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
PTPN2 P17706 2/20 0.48
PTPN1 P18031 2/20 0.48
CDC25B P30305 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
PTPN6 P29350 1/20 0.47
PTPN11 Q06124 1/20 0.47
LMNA P02545 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
SCHEMBL28358307 1.00 MEN1 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29051125 1.00 MEN1 (0.53) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29051131 0.92 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28361829 0.92 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29051128 0.92 MEN1 (0.52) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29051074 0.91 PTPN2 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28361881 0.91 PTPN2 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28361865 0.91 PTPN2 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29051136 0.91 PTPN2 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29051090 0.91 PTPN2 (0.55) MEN1KMT2AMAPTKDM4EALDH1A1

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-110746355-B Phenylpyrazole compound, pharmaceutical composition, and preparation method and application thereof 中国科学院上海有机化学研究所 2023-08-11 CN disclosed