SCHEMBL5044217

SCHEMBL5044217

CCCCCCCCCCCCNC(=O)c1ccc(CN(O)c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
THRA P10827 1/20 0.48
THRB P10828 1/20 0.48
NR1H4 Q96RI1 1/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
NAAA Q02083 2/20 0.47
HDAC6 Q9UBN7 2/20 0.46
MLYCD O95822 1/20 0.46
TP53 P04637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA2 P00918 1/20 0.45
HPGD P15428 2/20 0.44
TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL1851066 0.86 NAAA (0.46) KMT2AL3MBTL1THRATHRBNR1H4
SCHEMBL5048883 0.83 HDAC3 (0.60) KMT2ARAB9ANPC1NAAAHDAC6
SCHEMBL5047915 0.83 FOLH1 (0.55) KMT2AL3MBTL1THRATHRBNAAA
SCHEMBL1853317 0.83 NAAA (0.66) L3MBTL1THRATHRBNAAAHDAC6
SCHEMBL5045836 0.82 NAAA (0.52) KMT2AL3MBTL1THRATHRBNAAA
SCHEMBL6356969 0.81 KMT2A (0.64) KMT2AL3MBTL1NR1H4RAB9ANPC1
SCHEMBL11759690 0.81 RAB9A (0.69) KMT2AL3MBTL1NR1H4RAB9ANPC1
SCHEMBL5040097 0.80 NPC1 (0.68) L3MBTL1THRATHRBRAB9ANPC1
SCHEMBL5044268 0.77 NAAA (0.60) KMT2AL3MBTL1RAB9ANPC1NAAA
SCHEMBL5044213 0.76 NAAA (0.53) KMT2AL3MBTL1THRATHRBRAB9A

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-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed