SCHEMBL7570515

SCHEMBL7570515

COc1ccc(OC)c(Sc2ncccc2OC(=O)NCC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.47
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
EPHX2 P34913 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL7569262 0.88 P2RX7 (0.57) P2RX7ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7571514 0.87 ALDH1A1 (0.51) P2RX7ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7578023 0.82 P2RX7 (0.49) P2RX7ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7572642 0.81 P2RX7 (0.43) P2RX7ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7572957 0.79 RAB9A (0.48) P2RX7ALDH1A1MEN1KMT2AEPHX2
Hydrochloric Acid SCHEMBL7572364 0.76 MAPT (0.47) P2RX7ALDH1A1MEN1KMT2AEPHX2
Trifluoroacetic Acid SCHEMBL7577511 0.75 P2RX7 (0.41) P2RX7ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7571682 0.73 ALDH1A1 (0.60) P2RX7ALDH1A1MEN1KMT2AEPHX2
Hydrochloric Acid SCHEMBL7570206 0.73 P2RX7 (0.48) P2RX7ALDH1A1MEN1KMT2AEPHX2
SCHEMBL7576813 0.70 MEN1 (0.48) P2RX7ALDH1A1MEN1KMT2AEPHX2

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-1036059-B1 ADAMANTANE DERIVATIVES ASTRAZENECA UK LTD (GB) 2002-09-18 EP claimed