SCHEMBL9034832

SCHEMBL9034832

O=C(O)C=CCc1ccc2c(ccn2Cc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.56
HDAC6 Q9UBN7 4/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC3 O15379 2/20 0.56
HDAC4 P56524 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
APP P05067 4/20 0.50
NPC1 O15118 1/20 0.50
HSP90AA1 P07900 1/20 0.50
PLAU P00749 3/20 0.47
PLG P00747 2/20 0.47
BACE1 P56817 2/20 0.46
SNCA P37840 2/20 0.45
HTR6 P50406 1/20 0.43
NR1I2 O75469 1/20 0.42

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 0.81 HDAC1 (0.78) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL9033657 0.81 HDAC1 (0.78) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL3116837 0.78 APP (0.56) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL9032878 0.78 HDAC8 (0.51) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL27721241 0.77 HDAC1 (0.60) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL7922152 0.76 PTGER3 (0.50) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL7922155 0.76 PTGER3 (0.50) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL30888879 0.75 PLAU (0.57) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL15971036 0.75 PLAU (0.57) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL16783105 0.75 APP (0.52) HDAC8HDAC6HDAC1HDAC2HDAC10

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