SCHEMBL27768342

SCHEMBL27768342

COC(=O)c1ccc(Cn2cncc2-c2ccc(C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 10/20 0.59
CYP11B2 P19099 10/20 0.59
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 1/20 0.48
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
BRD4 O60885 1/20 0.45
MAPT P10636 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
NCOR2 Q9Y618 1/20 0.45

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
SCHEMBL16304462 0.79 CYP11B1 (0.72) CYP11B1CYP11B2GAARAB9AMAPT
SCHEMBL16731012 0.79 CYP11B1 (0.48) CYP11B1CYP11B2RAB9AMAPT
SCHEMBL1951962 0.77 CYP11B1 (0.79) CYP11B1CYP11B2IDO1
SCHEMBL3873541 0.77 CYP11B2 (0.56) CYP11B1CYP11B2GAARAB9A
SCHEMBL3882851 0.76 CYP11B2 (0.56) CYP11B1CYP11B2GAARAB9A
SCHEMBL9046214 0.75 CYP11B1 (0.60) CYP11B1CYP11B2GAARAB9A
SCHEMBL5351176 0.74 GSK3B (0.49) TDP1GAAMAPT
SCHEMBL2399544 0.74 CYP11B1 (0.52) CYP11B1CYP11B2RAB9A
SCHEMBL3819729 0.73 CYP11B2 (0.78) CYP11B1CYP11B2GAARAB9A
SCHEMBL24131793 0.73 MAPK10 (0.52) CYP11B1CYP11B2GAARAB9A

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
CN-101426778-A N-substituted-azacyclylamines as histamine-3 antagonists WYETH CORP (US) 2009-05-06 CN disclosed