SCHEMBL30628186

SCHEMBL30628186

C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ccccc1.O=P(O)(O)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
PPARG P37231 1/20 0.45
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
MMP1 P03956 2/20 0.42
MMP3 P08254 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL20394114 1.00 KMT2A (0.47) KMT2AMEN1PPARGHDAC1HDAC6
SCHEMBL28134248 0.91 KMT2A (0.54) KMT2AMEN1PPARGHDAC1HDAC6
SCHEMBL30059761 0.91 KMT2A (0.54) KMT2AMEN1PPARGHDAC1HDAC6
SCHEMBL19349131 0.78 MEN1 (0.61) KMT2AMEN1MMP1MMP3ALDH1A1
SCHEMBL8615550 0.77 KMT2A (0.56) KMT2AMEN1PPARGHDAC1HDAC6
SCHEMBL30628187 0.77 MMP1 (0.47) KMT2AMEN1MMP1MMP3ALDH1A1
SCHEMBL14427596 0.76 MEN1 (0.67) KMT2AMEN1PPARGHDAC6HDAC8
SCHEMBL11164223 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1L3MBTL1LMNA
SCHEMBL15111088 0.75 TRPM8 (0.56) KMT2AMEN1L3MBTL1
SCHEMBL7444247 0.74 MEN1 (0.56) KMT2AMEN1MMP1MMP3ALDH1A1

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-112156102-B Crystal form of NUC-1031 single isomer and preparation method thereof 济南高合医疗科技有限公司 2023-10-03 CN disclosed