SCHEMBL6203889

SCHEMBL6203889

COc1cc2cc(C(=O)N3CC(CCl)c4c3cc(N(C)C)c3[nH]c(C(=O)O)cc43)[nH]c2c(OC)c1OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
P4HB P07237 1/20 0.49
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ADH1A P07327 1/20 0.32
KIT P10721 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
ABL2 P42684 1/20 0.32
CFD P00746 1/20 0.31

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
SCHEMBL5622648 0.93 P4HB (0.48) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6207810 0.89 KDM4E (0.51) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6207842 0.88 KDM4E (0.49) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL8107153 0.88 P4HB (0.51) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6207800 0.87 KDM4E (0.48) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6207805 0.87 KDM4E (0.48) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL30852740 0.86 P4HB (0.51) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL24065517 0.84 P4HB (0.51) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL30360049 0.83 P4HB (0.51) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL30852737 0.83 P4HB (0.51) KDM4EHPGDALDH1A1LMNAP4HB

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-0938474-B1 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2005-11-23 EP claimed