SCHEMBL28024733

SCHEMBL28024733

Oc1ccc(N2CCOCC2Br)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
VCP P55072 1/20 0.32
AKR1C3 P42330 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
ALOX15 P16050 1/20 0.30
NUDT1 P36639 1/20 0.30

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
SCHEMBL28025174 0.75 CHRNB2 (0.41) MAPTHTT
SCHEMBL137068 0.73 LMNA (0.47) AKR1C3MAPTKDM4EALDH1A1LMNA
SCHEMBL28024746 0.70 PIK3CD (0.36) KDM4EALDH1A1GAAHTTSMN1; SMN2
SCHEMBL16332686 0.68 PIK3C3 (0.44) PIK3CDPIK3CA
SCHEMBL16332803 0.68 PIK3C3 (0.44) PIK3CDPIK3CA
SCHEMBL23103865 0.66 PIK3C3 (0.46) PIK3CA
SCHEMBL17055234 0.65 MTOR (0.55) PIK3CDPIK3CA
SCHEMBL20917110 0.65 MTOR (0.55) PIK3CDPIK3CA
SCHEMBL27965766 0.65 MTOR (0.55) PIK3CDPIK3CA
SCHEMBL25147362 0.65 PIK3C3 (0.44) PIK3CDPIK3CA

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
CN-105143209-A Biaryl amide compounds as kinase inhibitors NOVARTIS AG 2015-12-09 CN disclosed