SCHEMBL6207800

SCHEMBL6207800

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
P4HB P07237 1/20 0.48
HSP90AA1 P07900 1/20 0.48
FBP1 P09467 9/20 0.39
HRH4 Q9H3N8 1/20 0.35
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
APEX1 P27695 1/20 0.33
XDH P47989 2/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL6207805 1.00 KDM4E (0.48) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL5623265 0.93 P4HB (0.47) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL5623259 0.89 P4HB (0.49) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL5624285 0.89 P4HB (0.49) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6205630 0.89 P4HB (0.49) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6207810 0.88 KDM4E (0.51) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6203889 0.87 KDM4E (0.50) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL3560521 0.87 P4HB (0.49) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL3559441 0.87 P4HB (0.48) KDM4EHPGDALDH1A1LMNAP4HB
SCHEMBL6205186 0.87 P4HB (0.47) 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