SCHEMBL11635447

SCHEMBL11635447

FC(F)(F)c1ccc2sc3ccccc3c(=S)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.49
GPR3 P46089 1/20 0.43
G6PD P11413 1/20 0.43
TLR9 Q9NR96 1/20 0.43
EPHX2 P34913 1/20 0.41
EPM2A O95278 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
MPI P34949 2/20 0.39
PHOSPHO1 Q8TCT1 2/20 0.39
PMM2 O15305 1/20 0.39
F10 P00742 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TASP1 Q9H6P5 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL2810528 0.81 KDM4E (0.58) KIF11GPR3G6PDTLR9EPM2A
SCHEMBL30369262 0.81 KDM4E (0.58) KIF11GPR3G6PDTLR9EPM2A
SCHEMBL28124653 0.80 GPR3 (0.54) KIF11GPR3G6PDTLR9EPHX2
SCHEMBL9129456 0.79 GPR3 (0.68) GPR3ALDH1A1MAPTHPGDRAB9A
Hydrochloric Acid SCHEMBL29008118 0.77 GPR3 (0.65) GPR3ALDH1A1MAPTHPGDRAB9A
SCHEMBL28344832 0.75 GPR3 (0.46) GPR3PTPN22MPIPHOSPHO1PMM2
SCHEMBL1285223 0.75 KDM4E (0.64) GPR3G6PDALDH1A1MAPTHPGD
SCHEMBL26820448 0.75 KIF11 (0.50) KIF11GPR3EPHX2EPM2APTPN2
SCHEMBL26820467 0.75 KIF11 (0.50) KIF11GPR3EPHX2EPM2APTPN2
SCHEMBL16421246 0.74 G6PD (0.47) KIF11G6PDTLR9EPHX2EPM2A

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-4089961-A Antipsychotically useful quinolizidylidene derivatives of xanthenes, thioxanthenes and dibenzoxepins SMITHKLINE CORPORATION (US) 1978-05-16 US disclosed