SCHEMBL19975608

SCHEMBL19975608

Cc1cc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)cc(P(C)(=O)O)n3)CCN(Cc3cc(C(=O)OCc4ccccc4)cc(P(C)(=O)O)n3)CC2)nc(P(C)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PRMT1 Q99873 1/20 0.39
SLC29A1 Q99808 1/20 0.38
JMJD6 Q6NYC1 1/20 0.38
ALDH1A1 P00352 7/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 2/20 0.37
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL19975599 0.95 TDP1 (0.43) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975606 0.87 PRMT1 (0.39) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975603 0.77 PHGDH (0.41) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975750 0.77 TDP1 (0.48) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975605 0.77 KDM5C (0.38) TDP1KMT2ASLC6A2SLC6A3PRMT1
SCHEMBL19975749 0.77 KMT2A (0.45) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL26886198 0.75 KDM5C (0.36) TDP1MAPTL3MBTL1PRMT1SLC29A1
SCHEMBL19975601 0.75 JMJD6 (0.47) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975595 0.74 TDP1 (0.43) TDP1MAPTL3MBTL1KMT2ASLC6A2
SCHEMBL19975604 0.74 GPR119 (0.41) MAPTKMT2AALDH1A1KDM4EMAPK1

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