SCHEMBL8702015

SCHEMBL8702015

CC1(C)COC(c2ccccc2OC(=O)c2cccc(C(=O)Oc3ccccc3C3=NC(C)(C)CO3)c2)=N1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 1/20 0.43
SLC6A3 Q01959 1/20 0.38
TOP1 P11387 1/20 0.38
IL2 P60568 1/20 0.37
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 1/20 0.36
ESR1 P03372 1/20 0.36
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
PTGES O14684 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
SCHEMBL8702016 0.95 KMT2A (0.43) KMT2AKDM4ESLC6A3TOP1GAA
SCHEMBL7824728 0.79 NPC1 (0.47) KDM4EIL2
SCHEMBL6301363 0.77 KDM4E (0.42) KMT2AKDM4EIL2GAAMEN1
SCHEMBL27414505 0.76 KDM4E (0.40) KDM4EIL2POLB
SCHEMBL8873184 0.74 MAPT (0.40) KMT2AKDM4EIL2MEN1POLB
SCHEMBL7830474 0.73 KDM4E (0.42) KDM4EIL2
SCHEMBL18380643 0.73 KDM4E (0.61) KDM4E
SCHEMBL8873929 0.72 EGFR (0.44) KDM4EIL2GAA
SCHEMBL7827566 0.72 HRH3 (0.46) KDM4EIL2
SCHEMBL7827303 0.71 CA12 (0.50) KDM4EIL2

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-5824691-A CARDIOVASCULAR, CEREBROVASCULAR, RENAL DISEASES; SHOCK, ARTERIOSCLEROSIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-10-20 US disclosed