SCHEMBL7338632

SCHEMBL7338632

ClC1=Nc2cccc(Br)c2C2=NCCN12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.53
HDAC4 P56524 6/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC5 Q9UQL6 4/20 0.39
HDAC3 O15379 3/20 0.38
HDAC7 Q8WUI4 1/20 0.38
PTGS2 P35354 2/20 0.34
SMARCA2 P51531 1/20 0.34
PTAFR P25105 2/20 0.33
DNMT1 P26358 1/20 0.33
RAD52 P43351 1/20 0.33
UHRF1 Q96T88 1/20 0.33

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
SCHEMBL7335787 0.85 HDAC8 (0.56) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL7332041 0.82 HDAC8 (0.53) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL7328322 0.82 HDAC8 (0.41) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL7335813 0.79 SLC6A2 (0.46) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL7326935 0.75 DNMT1 (0.51) HDAC8HDAC4HDAC5SMARCA2PTAFR
SCHEMBL31746741 0.73 HDAC8 (0.41) HDAC8HDAC4HDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL12502728 0.73 HDAC8 (0.56) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL9265360 0.71 HDAC8 (0.43) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL31167506 0.71 HDAC8 (0.57) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL7336717 0.67 HDAC8 (0.51) HDAC8HDAC4HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0491814-B1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS NOVO NORDISK AS (DK) 1995-12-06 EP disclosed
EP-0491814-A1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS. NOVO NORDISK AS (DK) 1992-07-01 EP disclosed
US-5100895-A Imidazoquinazoline compounds; anticonvulsants, anxiolytics, hypnotics, antipsychotics, antiemetics, improving cognitive function NOVO NORDISK A/S (DK) 1992-03-31 US disclosed
WO-1991003478-A1 TETRACYCLIC IMIDAZOQUINAZOLINE DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed
EP-0417027-A1 Tetracyclic imidazoquinazoline derivatives, process for their preparation and pharmaceutical compositions containing them NOVO NORDISK A/S (DK) 1991-03-13 EP disclosed