SCHEMBL3421092

SCHEMBL3421092

COc1ccc(C(N)=O)c(I)c1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NNMT P40261 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
APOBEC3A P31941 1/20 0.40
HTT P42858 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL3780281 0.84 MAPT (0.66) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL660605 0.83 MAPT (0.55) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL4278017 0.82 MAPT (0.64) MAPTTDP1LMNAMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL28473659 0.81 MAPT (0.53) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL4278020 0.81 MAPT (0.49) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL4510130 0.80 MAPT (0.51) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL10407306 0.79 TDP1 (0.50) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL28143247 0.79 MAPT (0.50) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL7535764 0.77 TSHR (0.47) MAPTTDP1LMNAMAPK1SMN1; SMN2
SCHEMBL22991533 0.76 MAPT (0.43) MAPTTDP1LMNAMAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4555547-B2 2010-10-06 JP claimed
JP-2004505977-A 2004-02-26 JP claimed
EP-1320531-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-06-25 EP claimed
WO-2002012242-A2 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2002-02-14 WO claimed