SCHEMBL16748652

SCHEMBL16748652

CCCCOc1c[nH]c(C(=O)Nc2ccc(C=O)cc2)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMYD3 Q9H7B4 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
NR1H4 Q96RI1 1/20 0.37

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
SCHEMBL9915491 0.84 SMYD3 (0.45) MEN1KMT2ASMYD3LMNASMN1; SMN2
SCHEMBL9915484 0.83 MAPT (0.49) MEN1KMT2ASMYD3LMNASMN1; SMN2
SCHEMBL9915519 0.81 MEN1 (0.44) MEN1KMT2ASMYD3LMNASMN1; SMN2
SCHEMBL15279079 0.76 TLR7 (0.45) MEN1KMT2ALMNARAB9AHPGD
SCHEMBL15279003 0.75 DAO (0.43) LMNA
SCHEMBL9944295 0.72 MAPT (0.54) MEN1KMT2ALMNASMN1; SMN2STAT3
SCHEMBL15279000 0.71 L3MBTL1 (0.41) MAPTKDM4E
SCHEMBL16748804 0.71 NR1H4 (0.46) KMT2ALMNASMN1; SMN2NR1H4TSHR
SCHEMBL9915523 0.71 C5AR1 (0.39) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6347341 0.69 RAB9A (0.65) MEN1KMT2ALMNASMN1; SMN2RECQL

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
EP-2646436-B1 MONOBACTAMS PFIZER (US) 2015-05-27 EP disclosed