SCHEMBL8858952

SCHEMBL8858952

O=C(OCCc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
PKM P14618 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 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
SCHEMBL8858938 0.81 AKR1B1 (0.46) AKR1B1TDP1LMNAMEN1KMT2A
SCHEMBL8858951 0.75 AKR1B1 (0.47) AKR1B1TDP1LMNAMEN1KMT2A
SCHEMBL8858925 0.71 AKR1A1 (0.54) AKR1B1
SCHEMBL28638703 0.69 HTT (0.61) TDP1LMNAKMT2ACYP2C19MAPT
SCHEMBL8858909 0.69 AKR1B1 (0.42) AKR1B1TDP1LMNAMEN1KMT2A
SCHEMBL137486 0.69 TDP1 (0.83) TDP1LMNAKMT2AESR1ESR2
SCHEMBL547137 0.67 TDP1 (0.79) TDP1LMNAKMT2AESR1ESR2
SCHEMBL28286830 0.67 TDP1 (0.79) TDP1LMNAKMT2AESR1ESR2
SCHEMBL13292516 0.67 TDP1 (0.79) TDP1LMNAKMT2AESR1ESR2
SCHEMBL16217656 0.67 TDP1 (0.79) TDP1LMNAKMT2AESR1ESR2

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-5700819-A ALDOSE REDUCTASE ENZYME INHIBITOR GRELAN PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed