SCHEMBL8209474

SCHEMBL8209474

COC(=O)c1ccc(C=C(Cn2ccnc2C)c2nccs2)cc1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
GRM2 Q14416 1/20 0.36
PTGS1 P23219 1/20 0.35
NAMPT P43490 1/20 0.35
POLB P06746 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL8209468 1.00 MEN1 (0.37) MEN1KMT2ASLC6A4SLC6A3GRM2
SCHEMBL8228848 0.91 GRM2 (0.38) MEN1KMT2AGRM2NAMPTPOLB
SCHEMBL8228850 0.91 GRM2 (0.38) MEN1KMT2AGRM2NAMPTPOLB
SCHEMBL7711906 0.85 KDM4E (0.38) SLC6A4SLC6A3GRM2PTGS1NAMPT
SCHEMBL7709044 0.85 KDM4E (0.38) SLC6A4SLC6A3GRM2PTGS1NAMPT
SCHEMBL8271519 0.79 SLC6A4 (0.37) SLC6A4SLC6A3PTGS1NAMPTKDM4E
SCHEMBL8203846 0.78 FNTA (0.38)
SCHEMBL8203847 0.78 FNTA (0.38)
SCHEMBL7241558 0.77 KDM4E (0.43) KDM4ESMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL7241553 0.77 KDM4E (0.43) KDM4ESMN1; SMN2NPC1RAB9ACYP2D6

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
EP-1054865-A1 FARNESYL TRANSFERASE INHIBITORS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed