SCHEMBL9034828

SCHEMBL9034828

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.65
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC3 O15379 2/20 0.61
HDAC1 Q13547 2/20 0.61
HDAC2 Q92769 2/20 0.61
HDAC10 Q969S8 2/20 0.61
HDAC11 Q96DB2 2/20 0.61
HDAC4 P56524 1/20 0.61
HDAC7 Q8WUI4 1/20 0.61
HDAC9 Q9UKV0 1/20 0.61
HDAC5 Q9UQL6 1/20 0.61
NPC1 O15118 1/20 0.58
HSP90AA1 P07900 1/20 0.58
SNCA P37840 4/20 0.52
BACE1 P56817 2/20 0.47
TBXAS1 P24557 3/20 0.46
AKR1C3 P42330 1/20 0.45
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
SCHEMBL9034823 1.00 APP (0.65) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL9057916 0.90 APP (0.65) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL9057914 0.90 APP (0.65) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL14207388 0.80 NPC1 (0.67) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL9033657 0.80 HDAC1 (0.78) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL7712681 0.80 HDAC1 (0.78) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL9033706 0.77 HDAC8 (0.52) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL9033696 0.77 HDAC8 (0.52) APPHDAC8HDAC6HDAC3HDAC1
SCHEMBL9033981 0.77
SCHEMBL2510469 0.76 HDAC1 (1.00) APPHDAC8HDAC6HDAC3HDAC1

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