SCHEMBL23812450

SCHEMBL23812450

Nc1c(C(=O)OCc2ccccc2)cc(C(=O)OCc2ccccc2)cc1C(=O)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.64
KMT2A Q03164 2/20 0.64
SLC6A2 P23975 1/20 0.64
SLC6A3 Q01959 1/20 0.64
ALDH1A1 P00352 8/20 0.58
LMNA P02545 3/20 0.58
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
CYP3A4 P08684 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6139502 0.95 ALDH1A1 (0.62) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL26451268 0.85 TDP1 (0.66) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL23812437 0.85 ALDH1A1 (0.69) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL23812446 0.84 TDP1 (0.60) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL6282770 0.84 KMT2A (0.81) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4993714 0.83 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL12856431 0.83 TDP1 (0.68) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20400389 0.83 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL4311512 0.83 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3ALDH1A1
SCHEMBL20401024 0.83 TDP1 (0.62) TDP1KMT2ASLC6A2SLC6A3ALDH1A1

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-3353152-B1 METHOD NORSK MEDISINSK SYKLOTRONSENTER AS (NO) 2021-09-15 EP disclosed