SCHEMBL8165342

SCHEMBL8165342

CC(=O)CC(c1ccccc1)c1ncc[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.48
ADRA2B P18089 2/20 0.48
ADRA2C P18825 2/20 0.48
BRD4 O60885 1/20 0.44
CYP2C9 P11712 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CSNK1A1 P48729 1/20 0.40
TYRO3 Q06418 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
ALB P02768 1/20 0.40
PCSK7 Q16549 1/20 0.40
HSD17B10 Q99714 1/20 0.40
VKORC1 Q9BQB6 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9736912 0.86 FPR2 (0.49) ADRA2AADRA2BADRA2CALDH1A1KMT2A
SCHEMBL6952503 0.79 MTOR (0.44) ADRA2AADRA2BADRA2CKDM4EALDH1A1
SCHEMBL954734 0.79 CHRM2 (0.45) ADRA2AADRA2BADRA2CTSHRLMNA
SCHEMBL6204544 0.78 MGAM (0.49) ADRA2AADRA2BADRA2CHSD17B10MEN1
SCHEMBL19019814 0.77 FFAR1 (0.50) ADRA2AADRA2BADRA2CALDH1A1KMT2A
SCHEMBL953334 0.76 CHRM2 (0.43) ADRA2AADRA2BADRA2CMTORADK
SCHEMBL109205 0.76 LMNA (0.53) BRD4CYP2C9KDM4EALDH1A1ALB
SCHEMBL6934137 0.76 TAAR1 (0.52) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL9386046 0.76 NISCH (0.44) ADRA2AADRA2BADRA2CCSNK1A1TYRO3
SCHEMBL10956049 0.75 HRH1 (0.56) ADRA2AADRA2BADRA2CCYP2C9KDM4E

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-1011723-A1 88KDA TUMORIGENIC GROWTH FACTOR AND ANTAGONISTS Serrero, Ginette (US) 2000-06-28 EP disclosed
WO-1998052607-A1 88KDA TUMORIGENIC GROWTH FACTOR AND ANTAGONISTS SERRERO GINETTE (US) 1998-11-26 WO disclosed