SCHEMBL19975600

SCHEMBL19975600

COC(=O)c1cc(C(=O)OCc2ccccc2)cc(CN2CCNCCN(Cc3cc(C(=O)OCc4ccccc4)cc(C)n3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.40
KDM5C P41229 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
CHRM4 P08173 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
CASP7 P55210 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
SCHEMBL19975760 0.95 KDM5C (0.43) CHRM3KDM5CKDM4CTDP1MEN1
SCHEMBL19975595 0.94 TDP1 (0.43) MAPTL3MBTL1TDP1TSHRHTT
SCHEMBL19975603 0.91 PHGDH (0.41) MAPTL3MBTL1TDP1CHRM4MEN1
SCHEMBL19975749 0.90 KMT2A (0.45) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL19975602 0.85 GPR119 (0.43) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL19975750 0.80 TDP1 (0.48) MAPTL3MBTL1TDP1TSHRHTT
SCHEMBL19975613 0.80 CHRM4 (0.40) MAPTL3MBTL1CHRM4MEN1KMT2A
SCHEMBL19975594 0.76 KMT2A (0.50) MAPTL3MBTL1TDP1TSHRKMT2A
SCHEMBL19975781 0.75 ALDH1A1 (0.39) L3MBTL1CHRM4ALDH1A1LMNAKDM4E
SCHEMBL19975596 0.74 JMJD6 (0.49) KDM5CKDM4CMAPTTDP1TSHR

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
US-9920082-B2 Water-soluble complexing agents and corresponding lanthanide complexes CISBO BIOASSAYS (FR) 2018-03-20 US disclosed