SCHEMBL8858951

SCHEMBL8858951

O=C(O)c1ccccc1CCc1nc2c(Cl)c(Cl)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
FOLH1 Q04609 1/20 0.41
SLC16A3 O15427 3/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CLCN2 P51788 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
EPHX2 P34913 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
SCHEMBL8858937 0.81 AKR1B1 (0.47) AKR1B1MEN1KMT2ANPC1RAB9A
SCHEMBL8658508 0.79 MRGPRX4 (0.46) AKR1B1MEN1KMT2ANPC1RAB9A
SCHEMBL8858952 0.75 AKR1B1 (0.46) AKR1B1MEN1KMT2ANPC1RAB9A
SCHEMBL11035079 0.74 MEN1 (0.43) AKR1B1MEN1KMT2ANPC1RAB9A
SCHEMBL11115984 0.70 FOLH1 (0.61) MEN1KMT2ANPC1RAB9AFOLH1
SCHEMBL8858923 0.70 AKR1A1 (0.60) AKR1B1
SCHEMBL30365583 0.70 FOLH1 (0.76) FOLH1SLC16A3TP53HTTPOLB
SCHEMBL70392 0.70 FOLH1 (0.76) FOLH1SLC16A3TP53HTTPOLB
SCHEMBL8396276 0.69 MEN1 (0.47) AKR1B1MEN1KMT2ANPC1RAB9A
SCHEMBL8396244 0.68 AKR1B1 (0.45) AKR1B1MEN1KMT2ANPC1RAB9A

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