SCHEMBL7711906

SCHEMBL7711906

COC(=O)c1ccc(/C=C(\Cn2ccnc2)c2nccs2)cc1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
AHR P35869 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP19A1 P11511 4/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
PTGS1 P23219 1/20 0.35
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
RBBP9 O75884 1/20 0.34
CYP1A2 P05177 1/20 0.34
GRM2 Q14416 1/20 0.34
PTGS2 P35354 1/20 0.33
CYP51A1 Q16850 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
PGGT1B P53609 1/20 0.33
MAPK14 Q16539 1/20 0.33
NAMPT P43490 1/20 0.33
QPCT Q16769 1/20 0.33

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
SCHEMBL7709044 1.00 KDM4E (0.38) KDM4EAHRNPSR1CYP19A1SLC6A4
SCHEMBL7241553 0.92 KDM4E (0.43) KDM4EAHRNPSR1CYP19A1CYP2D6
SCHEMBL7241558 0.92 KDM4E (0.43) KDM4EAHRNPSR1CYP19A1CYP2D6
SCHEMBL7242964 0.90 TBXAS1 (0.36) CYP19A1GRM2PTGS2CYP51A1NAMPT
SCHEMBL7242970 0.90 TBXAS1 (0.36) CYP19A1GRM2PTGS2CYP51A1NAMPT
SCHEMBL7247057 0.89 KDM4E (0.38) KDM4EAHRNPSR1CYP19A1CYP2C19
SCHEMBL7247059 0.89 KDM4E (0.38) KDM4EAHRNPSR1CYP19A1CYP2C19
SCHEMBL8209474 0.85 MEN1 (0.37) KDM4ESLC6A4SLC6A3PTGS1CYP2D6
SCHEMBL8209468 0.85 MEN1 (0.37) KDM4ESLC6A4SLC6A3PTGS1CYP2D6
SCHEMBL7703365 0.82 FNTA (0.48) FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed