SCHEMBL28033646

SCHEMBL28033646

C=CCOc1c[c]ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
LIG1 P18858 1/20 0.34
GAA P10253 1/20 0.33
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ADRA2A P08913 1/20 0.32

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
SCHEMBL3464239 0.83 HPGD (0.39) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL6601793 0.80 ALDH1A1 (0.41) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL27982832 0.79 HPGD (0.34) TSHRHPGDHSD17B10MAPK1CA12
SCHEMBL16395176 0.79 HTR2C (0.38) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL4884473 0.79 ADRA2A (0.40) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL3971417 0.77 KDM4E (0.46) HPGDHSD17B10CYP3A4GAAHTR2A
SCHEMBL7688247 0.77 KDM4E (0.42) HPGDHSD17B10CYP3A4GAAALDH1A1
SCHEMBL6197092 0.76 ALDH1A1 (0.41) TSHRHPGDHSD17B10MAPK1CYP3A4
SCHEMBL27982834 0.76 ALDH1A1 (0.35) TSHRHPGDHSD17B10MAPK1LIG1
SCHEMBL15665568 0.76 RAB9A (0.39) TSHRHPGDCYP3A4CA12CA1

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
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN claimed
CN-103228643-B As the benzoxazole derivative of histamine h 4 receptor part BIOPROJET (FR) 2015-11-25 CN disclosed