SCHEMBL7872404

SCHEMBL7872404

N#CC(NC(=O)CCC(=O)O)c1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.47
ANPEP P15144 1/20 0.41
TSHR P16473 1/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SDCBP O00560 1/20 0.36
SDC2 P34741 1/20 0.36
MAPK1 P28482 1/20 0.36
MME P08473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 1/20 0.36
PRCP P42785 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL7867488 0.86 MME (0.43) CYP1A2MMECYP2C19
SCHEMBL7872465 0.85 MME (0.48) TSHRCNR2CYP1A2MMECYP2C19
SCHEMBL7872426 0.85 MME (0.48) CTSKANPEPCNR2KDM4EMME
SCHEMBL7860940 0.83 HPGD (0.40) ANPEPMAPK1MME
SCHEMBL7867497 0.82 CNR2 (0.45) CNR2KDM4EMAPK1SMN1; SMN2
SCHEMBL7865912 0.78 CYP1A2 (0.51) CYP1A2MMECYP2C19
SCHEMBL7865908 0.77 HTT (0.43) CYP1A2MMECYP2C19
SCHEMBL7865403 0.75 MME (0.47) ANPEPCNR2MME
SCHEMBL7865926 0.75 KMT2A (0.48) MMESMN1; SMN2
SCHEMBL9272404 0.73 CTSK (0.43) CTSKCYP1A2KDM4ESMN1; SMN2CNR1

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-1086107-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2001-03-28 EP disclosed
WO-1999065914-A1 ARTEMISININ DERIVATIVES, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SHANGHAI INSTITUTE OF MATERIA MEDICA (CN) 1999-12-23 WO disclosed