SCHEMBL7336717

SCHEMBL7336717

ClC1=Nc2ccccc2C2=NCCCN12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 13/20 0.51
HDAC4 P56524 10/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC5 Q9UQL6 5/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
KDM4E B2RXH2 1/20 0.48
DDAH1 O94760 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
NFKB1 P19838 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7326935 0.90 DNMT1 (0.51) HDAC8HDAC4HDAC5DNMT1RAD52
SCHEMBL86872 0.72 DNMT1 (0.53) HDAC8HDAC4DNMT1RAD52UHRF1
SCHEMBL25288748 0.72 HDAC8 (0.42) HDAC8HDAC4HDAC6HDAC5HDAC7
SCHEMBL7335039 0.72 HDAC8 (0.56) HDAC8HDAC4HDAC6HDAC5DNMT1
SCHEMBL7326253 0.71 DNMT1 (0.51) HDAC8HDAC4HDAC6HDAC5DNMT1
Bromide SCHEMBL82425 0.71 DNMT1 (0.51) HDAC8HDAC4DNMT1RAD52UHRF1
SCHEMBL7330633 0.70 HDAC8 (0.53) HDAC8HDAC4HDAC6HDAC5DNMT1
SCHEMBL31167506 0.70 HDAC8 (0.57) HDAC8HDAC4HDAC6HDAC5HDAC1
SCHEMBL7335787 0.69 HDAC8 (0.56) HDAC8HDAC4HDAC6HDAC5HDAC1
SCHEMBL13830758 0.68 HDAC8 (1.00) HDAC8HDAC4HDAC6HDAC5HDAC1

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