SCHEMBL7448786

SCHEMBL7448786

COc1[c][nH]c2cccc(-c3ncccn3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.35
DYRK1A Q13627 1/20 0.35
PDE5A O76074 2/20 0.34
AURKA O14965 2/20 0.34
CYP19A1 P11511 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HTR5A P47898 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
BRD4 O60885 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
CBFB Q13951 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL7111089 0.84 SMN1; SMN2 (0.42) PDE5AAURKAHTR7ALDH1A1CYP3A4
SCHEMBL7455246 0.79 METAP2 (0.36) CYP19A1HTR1AHTR7HTR2BHTR5A
SCHEMBL7107722 0.79 TUBB4A (0.36) CYP1A2
SCHEMBL6162726 0.74 ABCG2 (0.42) HTR2BALDH1A1CYP3A4TP53HPGD
SCHEMBL4171658 0.74 GPR84 (0.37) ALDH1A1
SCHEMBL7449646 0.74 LTK (0.35) CLK4DYRK1AALDH1A1HPGDALOX15
SCHEMBL7111062 0.73 CLK4 (0.38) CLK4DYRK1ACYP19A1ALDH1A1CYP3A4
SCHEMBL7105859 0.70 CLK4 (0.35) CLK4DYRK1ACYP19A1ALDH1A1CYP3A4
SCHEMBL7453756 0.67 CLK4 (0.40) CLK4DYRK1ACYP19A1ALDH1A1CYP3A4
SCHEMBL2071022 0.64 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDALOX15CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed