SCHEMBL8059666

SCHEMBL8059666

NC(Cc1ccccc1)C(O)c1nc2ccccc2o1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
XDH P47989 1/20 0.42
PTPN1 P18031 6/20 0.40
PTPN2 P17706 5/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 2/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL8136679 1.00 HDAC3 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL6349192 0.99 HDAC3 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8230300 0.87 NPC1 (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5431040 0.86 FAAH (0.42) XDHTP53SMN1; SMN2LMNANPC1
SCHEMBL7561710 0.86 FAAH (0.42) XDHTP53SMN1; SMN2LMNANPC1
SCHEMBL6462278 0.86 FAAH (0.42) XDHTP53SMN1; SMN2LMNANPC1
SCHEMBL7732346 0.86 FAAH (0.42) XDHTP53SMN1; SMN2LMNANPC1
SCHEMBL12247707 0.86 PTPN1 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5424291 0.82 NPC1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5422053 0.82 NPC1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1088706-C Novel heterocyclic amide compound and medical use thereof MAMORUFUKU KK (JP) 2002-08-07 CN disclosed
US-6080738-A USEFUL AS CHYMASE INHIBITORS AND CAN BE USED FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II YOSHITOMI PHARMACEUTICALS INDUSTRIES, LTD. (JP) 2000-06-27 US disclosed
CN-1242014-A Novel heterocyclic amide compounds and medicinal uses thereof YOSHITOMI PHARMACEUTICAL (JP) 2000-01-19 CN disclosed
EP-0940400-A1 NOVEL HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USES THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-09-08 EP disclosed