SCHEMBL7188519

SCHEMBL7188519

NCCCCCC(=O)Nc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
HDAC3 O15379 9/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC10 Q969S8 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
NCOR2 Q9Y618 4/20 0.46
HDAC4 P56524 4/20 0.46
HDAC7 Q8WUI4 4/20 0.46
HDAC11 Q96DB2 4/20 0.46
HDAC8 Q9BY41 4/20 0.46
HDAC9 Q9UKV0 4/20 0.46
HDAC5 Q9UQL6 4/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.42
POLB P06746 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
SCHEMBL1938193 0.82 RAB9A (0.67) HDAC1RAB9ANPC1HDAC3HDAC2
SCHEMBL221320 0.78 HDAC3 (0.48) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL27736304 0.76 HDAC3 (0.47) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL1810653 0.76 RAB9A (0.47) HDAC1RAB9ANPC1HDAC3HDAC2
SCHEMBL3172544 0.74 NPSR1 (0.52) MEN1KMT2AGAAPOLB
SCHEMBL25002523 0.69 HDAC3 (0.90) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL1937944 0.69 HDAC3 (0.90) HDAC1HDAC3HDAC2HDAC10HDAC6
SCHEMBL10400228 0.69 RAB9A (0.67) HDAC1RAB9ANPC1MEN1KMT2A
SCHEMBL1939168 0.69 RAB9A (0.67) HDAC1RAB9ANPC1HDAC3HDAC2
SCHEMBL14261156 0.68 HDAC3 (0.87) HDAC1HDAC3HDAC2HDAC10HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1009451-B1 COMPOSITIONS AND THEIR USE TO PREVENT FORMATION OF ADHESIONS IN BIOLOGICAL TISSUES CALIFORNIA INST OF TECHN (US) 2003-10-29 EP claimed