SCHEMBL8912772

SCHEMBL8912772

C1=CC2(Oc3c1ccc1ncccc31)C1CC3CC(C1)CC2C3

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
P2RX7 Q99572 4/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
HTT P42858 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HIF1A Q16665 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33
NCOA1 Q15788 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
SCHEMBL8910990 0.81
SCHEMBL8868990 0.81 KDM4E (0.39) MAPTKDM4EP2RX7LMNAMEN1
SCHEMBL8122010 0.79 HTR2C (0.33) MAPTKDM4ELMNAMEN1HTT
SCHEMBL8911274 0.75 CA12 (0.37) HTTSMN1; SMN2
SCHEMBL8120470 0.75 MAPT (0.44) MAPTKDM4ELMNAMEN1HSP90AA1
SCHEMBL8911974 0.74 ALDH1A1 (0.30) MAPTKMT2A
SCHEMBL8910440 0.74
SCHEMBL8910451 0.73 P2RX7 (0.31) P2RX7
SCHEMBL8912778 0.73 TP53 (0.30)
SCHEMBL2458273 0.69 MAPT (0.47) MAPTKDM4ELMNAMEN1HSP90AA1

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-5608065-A ADAMANTANEOSPIRO-HETEROAROMATIC PYRANS OPTISCHE WERKE G. RODENSTOCK (DE) 1997-03-04 US claimed