SCHEMBL9070767

SCHEMBL9070767

C/C=C\C=C(/C)CCCc1nc2cc(C(=O)NCCC(=O)O)ccc2n1CCCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
HDAC8 Q9BY41 3/20 0.50
TP53 P04637 5/20 0.47
MAPT P10636 4/20 0.47
PLK1 P53350 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
EHMT2 Q96KQ7 2/20 0.43
EHMT1 Q9H9B1 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2653126 0.88 HDAC1 (0.61) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL2651153 0.80 HDAC1 (0.52) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL2652187 0.79 HDAC1 (0.54) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL9070781 0.79 HDAC1 (0.54) HDAC1HDAC8TP53PLK1SMN1; SMN2
SCHEMBL2652410 0.79 HDAC1 (0.52) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL2651574 0.78 HDAC1 (0.50) HDAC1HDAC8PLK1EHMT2EHMT1
SCHEMBL2665472 0.78 HDAC1 (0.51) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL2650851 0.77 HDAC1 (0.50) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL2651954 0.76 EHMT2 (0.47) HDAC1HDAC8TP53MAPTPLK1
SCHEMBL2652045 0.74 ENPP2 (0.51) TP53MAPTSMN1; SMN2EHMT2EHMT1

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
WO-2003053938-A1 BENZIMIDAZOLS AND INDOLS AS GLUCAGON RECEPTOR ANTAGONISTS/INVERSE AGONISTEN NOVO NORDISK A/S (DK) 2003-07-03 WO disclosed