SCHEMBL9033657

SCHEMBL9033657

O=C(O)C=Cc1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.78
HDAC8 Q9BY41 6/20 0.78
HDAC2 Q92769 5/20 0.78
HDAC6 Q9UBN7 5/20 0.78
HDAC3 O15379 4/20 0.78
HDAC10 Q969S8 4/20 0.78
HDAC4 P56524 3/20 0.78
HDAC7 Q8WUI4 3/20 0.78
HDAC11 Q96DB2 3/20 0.78
HDAC9 Q9UKV0 3/20 0.78
HDAC5 Q9UQL6 3/20 0.78
NPC1 O15118 1/20 0.67
HSP90AA1 P07900 1/20 0.67
PLA2G4A P47712 2/20 0.62
APP P05067 6/20 0.62
BACE1 P56817 2/20 0.61
SNCA P37840 4/20 0.60
TBXAS1 P24557 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
SCHEMBL7712681 1.00 HDAC1 (0.78) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL8388266 0.90 BACE1 (0.74) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL2510471 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL2510469 0.88 HDAC1 (1.00) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL7712587 0.87 HDAC1 (0.70) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL14207388 0.82 NPC1 (0.67) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9034832 0.81 HDAC8 (0.56) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9034823 0.80 APP (0.65) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL9034828 0.80 APP (0.65) HDAC1HDAC8HDAC2HDAC6HDAC3
SCHEMBL14207389 0.78 NPC1 (0.62) HDAC1HDAC8HDAC2HDAC6HDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511477-B1 Indole derivatives KYOWA HAKKO KOGYO KK (JP) 1996-07-10 EP disclosed
US-5239083-A Anticarcinogenic agents, prostate cancer treatment KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-08-24 US disclosed
EP-0511477-A1 Indole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-11-04 EP disclosed