SCHEMBL7127401

SCHEMBL7127401

O=C1Nc2ccc(Br)cc2C12CCCCC2=NOCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
BACE1 P56817 3/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SLC27A2 O14975 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ALPL P05186 1/20 0.35
HSP90AA1 P07900 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL6429764 0.82 PGR (0.40)
SCHEMBL6013826 0.75 PGR (0.37) BACE1PTP4A3MAOBPTPN1
SCHEMBL6013828 0.75 PGR (0.37) BACE1PTP4A3MAOBPTPN1
SCHEMBL28010057 0.64 TP53 (0.48) CYP3A4CYP2C19BACE1GAAMGAM
SCHEMBL1223242 0.64 PGR (0.55) POLBCYP3A4CYP2C19
SCHEMBL19235307 0.64 IP6K1 (0.49) CYP3A4CYP2C19MAPTKDM4EALDH1A1
SCHEMBL14524564 0.64 BACE1 (0.52) BACE1GAASLC27A2ADAMTS5MAPT
SCHEMBL15426102 0.63 TP53 (0.67) BACE1GAAMGAMSIMGAM2
SCHEMBL19410676 0.63 PGR (0.62) SLC27A2ADAMTS5MAPTKDM4EALDH1A1
SCHEMBL22904130 0.63 CMA1 (0.45) POLBCYP3A4CYP2C19GAAMGAM

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
US-6583145-B1 Thio-oxindole derivatives WYETH 2003-06-24 US disclosed