SCHEMBL11615696

SCHEMBL11615696

CCCCCCCCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.69
HDAC3 O15379 3/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC4 P56524 1/20 0.69
HDAC7 Q8WUI4 1/20 0.69
HDAC10 Q969S8 1/20 0.69
HDAC11 Q96DB2 1/20 0.69
HDAC8 Q9BY41 1/20 0.69
HDAC6 Q9UBN7 1/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
MAPT P10636 3/20 0.67
ALOX12 P18054 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.66
MGLL Q99685 2/20 0.65
ALDH1A1 P00352 2/20 0.65
NAAA Q02083 2/20 0.63
CA2 P00918 1/20 0.62
MLYCD O95822 1/20 0.59
NPC1 O15118 2/20 0.58

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
SCHEMBL11618430 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11048249 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11614664 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL9507460 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11617043 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11615321 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11610572 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL5694358 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL11617021 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL1853970 1.00 HDAC1 (0.69) HDAC1HDAC3HDAC2HDAC4HDAC7

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
US-4118503-A ANTIULCER AGENTS PFIZER INC. (US) 1978-10-03 US disclosed
US-4117138-A ANTIULCER PFIZER INC. (US) 1978-09-26 US disclosed
US-4064264-A Pyrrolidonecarboxylic acid derivatives as anti-ulcer agents PFIZER INC. (US) 1977-12-20 US disclosed
US-4044147-A N-(acyl)-p-amino-N'-(monosubstituted)-benzamide anti-ulcer agents PFIZER INC. (US) 1977-08-23 US disclosed