SCHEMBL19975601

SCHEMBL19975601

Cc1ccnc(CN2CCN(Cc3cc(C(=O)OCc4ccccc4)ccn3)CCN(Cc3cc(C(=O)OCc4ccccc4)cc(C(=O)O)n3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.47
KDM4C Q9H3R0 2/20 0.43
KDM5C P41229 1/20 0.43
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
PRMT1 Q99873 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
KDM5A P29375 1/20 0.38
TDP1 Q9NUW8 4/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
LMNA P02545 2/20 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
SCHEMBL19975596 0.94 JMJD6 (0.49) JMJD6KDM4CKDM5CALDH1A1KDM4E
SCHEMBL19975750 0.87 TDP1 (0.48) JMJD6ALDH1A1KDM4EPRMT1TDP1
SCHEMBL19975749 0.80 KMT2A (0.45) JMJD6ALDH1A1TDP1MAPTL3MBTL1
SCHEMBL28444103 0.80 JMJD6 (0.53) JMJD6KDM4CKDM5CALDH1A1KDM4E
SCHEMBL19975603 0.79 PHGDH (0.41) JMJD6ALDH1A1KDM4EPRMT1TDP1
SCHEMBL19975595 0.78 TDP1 (0.43) JMJD6ALDH1A1PRMT1TDP1MAPT
SCHEMBL19975612 0.77 POLB (0.35) JMJD6ALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL19975760 0.76 KDM5C (0.43) JMJD6KDM4CKDM5CALDH1A1KDM4E
SCHEMBL19975608 0.75 TDP1 (0.39) JMJD6ALDH1A1KDM4EPRMT1TDP1
SCHEMBL8945290 0.74 TDP1 (0.58) JMJD6KDM4CKDM5CALDH1A1KDM4E

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