SCHEMBL9846532

SCHEMBL9846532

COc1c(N2C[C@@H](C)[C@H](N)C2)c(F)cc2c1N(C(=O)O)C(C1CC1)C(=O)C2=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 3/20 0.33
POLB P06746 1/20 0.33
PRKD3 O94806 1/20 0.33
ALOX15 P16050 1/20 0.33
OPRM1 P35372 1/20 0.33
CLK2 P49760 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TOP1 P11387 2/20 0.31
LMNA P02545 1/20 0.30

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
Hydrochloric Acid SCHEMBL9846480 0.99 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846538 0.99 KDM4E (0.35) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9846541 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9846461 0.80 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846570 0.79 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846578 0.79 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
Hydrochloric Acid SCHEMBL9846543 0.79 KDM4E (0.36) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8445131 0.66 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9373510 0.66 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8445136 0.66 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10MEN1

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-0443498-A1 Isoindoline derivatives KYORIN PHARMACEUTICAL CO., LTD. (JP) 1991-08-28 EP claimed