SCHEMBL8560636

SCHEMBL8560636

O=C1C(Br)CCN1CC1CCCO1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.51
ALDH1A1 P00352 8/20 0.47
TSHR P16473 3/20 0.47
KMT2A Q03164 2/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
PARP1 P09874 1/20 0.39
HSD17B10 Q99714 4/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HIF1A Q16665 1/20 0.38
PIK3CA P42336 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37

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
SCHEMBL8560638 1.00 MAPT (0.51) MAPTALDH1A1TSHRKMT2APOLB
SCHEMBL8900108 1.00 MAPT (0.51) MAPTALDH1A1TSHRKMT2APOLB
SCHEMBL7619075 0.73 FPR2 (0.35) KDM4EL3MBTL1GAA
SCHEMBL7510369 0.73 FPR2 (0.35) KDM4EL3MBTL1GAA
SCHEMBL7619079 0.73 FPR2 (0.35) KDM4EL3MBTL1GAA
SCHEMBL8506958 0.73 CHRM5 (0.45)
SCHEMBL14170360 0.72 POLB (0.41) MAPTALDH1A1TSHRKMT2APOLB
SCHEMBL14170001 0.72 ALDH1A1 (0.42) MAPTALDH1A1TSHRKMT2APOLB
SCHEMBL27446962 0.71 TSHR (0.51) MAPTALDH1A1TSHRKMT2APOLB
SCHEMBL11779728 0.71 ALDH1A1 (0.47) MAPTALDH1A1TSHRKMT2APOLB

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
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed