SCHEMBL8910432

SCHEMBL8910432

C1=CC2(Oc3cc4nc5ccccc5nc4cc31)C1CC3CC(C1)CC2C3

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.33
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL8911974 0.76 ALDH1A1 (0.30) MAPTKMT2A
SCHEMBL7098420 0.76 HTR2C (0.45) MEN1MAPTKMT2A
SCHEMBL8910299 0.69 CYP17A1 (0.33)
SCHEMBL8910677 0.69 CYP17A1 (0.33)
SCHEMBL8911274 0.66 CA12 (0.37) NPC1
SCHEMBL10428642 0.63 HTR2C (0.47) MEN1MAPTKMT2A
SCHEMBL8910440 0.62
Acridine SCHEMBL28511403 0.61 MAPT (0.71) NQO2MEN1NPC1USP2POLB
SCHEMBL8910990 0.60
SCHEMBL23558663 0.58 HSD11B1 (0.37)

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