SCHEMBL16023778

SCHEMBL16023778

Cc1coc2c1C(=O)c1ccc3c(C)cccc3c1C2=O

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.81
▸ EPAS1 Q99814 4/20 0.81
▸ TDP1 Q9NUW8 4/20 0.81
▸ CES1 P23141 4/20 0.81
▸ MAPT P10636 4/20 0.81
▸ CES2 O00748 3/20 0.81
▸ PTPN6 P29350 3/20 0.81
▸ PTPN11 Q06124 3/20 0.81
▸ KDM1A O60341 2/20 0.81
▸ BLM P54132 2/20 0.81
▸ EED O75530 2/20 0.81
▸ POLB P06746 2/20 0.81
▸ SUZ12 Q15022 2/20 0.81
▸ EZH2 Q15910 2/20 0.81
▸ NSD1 Q96L73 2/20 0.81
▸ HDAC6 Q9UBN7 1/20 0.81
▸ IDO1 P14902 7/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47

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
SCHEMBL29411323 1.00 HIF1A (0.81) HIF1AEPAS1TDP1CES1MAPT
Tanshinone I SCHEMBL244391 0.90 TDP1 (1.00) HIF1AEPAS1TDP1CES1MAPT
Tanshinone I SCHEMBL14993883 0.90 TDP1 (1.00) HIF1AEPAS1TDP1CES1MAPT
Isotanshinone Ii SCHEMBL30035659 0.88 HIF1A (0.81) HIF1AEPAS1TDP1CES1MAPT
Tanshinone I SCHEMBL2564448 0.88 TDP1 (0.97) HIF1AEPAS1TDP1CES1MAPT
Tanshinone I SCHEMBL3664228 0.85 TDP1 (0.89) HIF1AEPAS1TDP1CES1MAPT
Tanshinone I SCHEMBL728081 0.77 EED (0.73) HIF1AEPAS1TDP1CES1MAPT
SCHEMBL16152288 0.75 TDP1 (0.73) HIF1AEPAS1TDP1CES1MAPT
SCHEMBL29520853 0.75 TDP1 (0.73) HIF1AEPAS1TDP1CES1MAPT
SCHEMBL30381335 0.75 EED (0.73) HIF1AEPAS1TDP1CES1MAPT

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
WO-2014138357-A1 NOVEL TASHINONE DRUGS FOR ALZHEIMER DISEASE THE UNIVERSITY OF AKRON (US) 2014-09-12 — — WO disclosed
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