SCHEMBL7537337

SCHEMBL7537337

O=C(NO)C1=CC=C2N=NN=C2C1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.33
HDAC4 P56524 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
GABRR1 P24046 1/20 0.31
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30

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
SCHEMBL30962517 0.85
SCHEMBL133569 0.81
Ammonia Solution, Strong SCHEMBL6052085 0.79
SCHEMBL446293 0.79
SCHEMBL18229695 0.69 LMNA (0.34) HDAC6HDAC4HDAC2HDAC8HDAC1
Imidazole SCHEMBL25324984 0.68 ALDH1A1 (0.34)
SCHEMBL10521524 0.66
Ammonia Solution, Strong SCHEMBL6052142 0.64
SCHEMBL14448972 0.55
SCHEMBL31737178 0.52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1930143-B MTP inhibiting aryl piperidines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA NV 2012-04-04 CN disclosed
CN-1930143-A MTP inhibiting aryl piperidines or piperazines substituted with 5-membered heterocycles JANSSEN PHARMACEUTICA NV (BE) 2007-03-14 CN disclosed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144385-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed