SCHEMBL9648652

SCHEMBL9648652

Nc1ncc(OC(=O)O)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.42
MAP4K4 O95819 8/20 0.36
MPO P05164 1/20 0.36
TPO P07202 1/20 0.36
EPX P11678 1/20 0.36
LPO P22079 1/20 0.36
CHRNA7 P36544 1/20 0.34
PDE5A O76074 1/20 0.34
KCNH2 Q12809 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
ALDH1A1 P00352 1/20 0.33
F2 P00734 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
CDK8 P49336 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL8099529 0.80 SMN1; SMN2 (0.38) ALDH1A1F2GLAHPGD
SCHEMBL22207152 0.73 NOS3 (0.39) MPOTPOEPXLPOCHRNA7
SCHEMBL186176 0.72 HDAC1 (0.42) CPB2ALDH1A1F2GLAHPGD
SCHEMBL9648864 0.72 ALDH1A1 (0.41) ALDH1A1F2GLAHPGD
SCHEMBL8061081 0.72 GABRP (0.47) CPB2MAP4K4ALDH1A1CYP2D6SLC6A2
SCHEMBL9163623 0.70 CYP3A4 (0.44) ALDH1A1HPGD
SCHEMBL9235248 0.69 GABRP (0.53) CPB2MPOTPOEPXLPO
SCHEMBL2476393 0.69 MAP4K4 (0.49) MAP4K4MPOTPOEPXLPO
SCHEMBL10610539 0.69 ALDH1A1 (0.47) ALDH1A1F2GLAHPGDSLC6A3
SCHEMBL6666490 0.69 MEN1 (0.42) MPOTPOEPXLPOCDK8

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-0244728-B1 USE OF HETEROARYLETHYL AMINES TO STIMULATE ANIMAL GROWTH, HETEROARYLETHYL AMINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1992-11-11 EP disclosed
EP-0244728-A2 Use of heteroarylethyl amines to stimulate animal growth, heteroarylethyl amines and process for their preparation BAYER AG (DE) 1987-11-11 EP disclosed