SCHEMBL8968707

SCHEMBL8968707

COC(C)Oc1c(C)cc(Br)cc1C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
NQO2 P16083 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
SCHEMBL2544650 0.82 LMNA (0.36) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL8968668 0.80 LMNA (0.39) KDM4EMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27623098 0.78 MEN1 (0.36) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL8969144 0.77 KDM4E (0.36) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL3358604 0.76 MEN1 (0.42) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL363341 0.74 KDM4E (0.45) KDM4EPKMMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL28586799 0.72 KDM4E (0.44) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL4735982 0.72 KDM4E (0.44) KDM4EPKMMEN1KMT2AALDH1A1
SCHEMBL1537774 0.70 HSD17B10 (0.39) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL21774682 0.70 PPARA (0.32) MEN1KMT2AGAA

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-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed