SCHEMBL7718552

SCHEMBL7718552

CCc1c(C(=O)O)ccc(OCCCBr)c1OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PTPN11 Q06124 4/20 0.40
S1PR3 Q99500 1/20 0.40
CNR2 P34972 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 1/20 0.38
NPC1 O15118 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3782773 0.82 MAPT (0.62) MAPTTDP1CNR2RAB9A
SCHEMBL6704275 0.79 ALDH1A1 (0.40) MAPTTDP1S1PR3CNR2
SCHEMBL3245118 0.78 CTSV (0.50) MAPTTDP1NPC1CYP2C9RAB9A
SCHEMBL4047895 0.78 KDM4E (0.53) TDP1NPC1RAB9A
SCHEMBL8787570 0.77 LMNA (0.47) MAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL6437034 0.76 TDP1 (0.47) MAPTTDP1
SCHEMBL7348961 0.75 MAPT (0.60) MAPTTDP1
SCHEMBL18468544 0.75 HSD17B10 (0.47) MAPTTDP1
SCHEMBL2540541 0.75 KDM4E (0.47) MAPTTDP1
SCHEMBL14699866 0.74 CNR2 (0.52) MAPTTDP1PTPN11S1PR3CNR2

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
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed