SCHEMBL7863511

SCHEMBL7863511

C[C@@](CCS(C)(=O)=O)(NC(=O)c1ccc(C(OCCn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
PGGT1B P53609 1/20 0.40
PTGS2 P35354 1/20 0.36
CYP19A1 P11511 2/20 0.35
NAMPT P43490 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
POLB P06746 1/20 0.33
CYP51A1 Q16850 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 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
SCHEMBL7561794 0.89 FNTA (0.40) FNTAFNTBPGGT1BPTGS2CYP19A1
SCHEMBL7563915 0.84 FNTA (0.51) FNTAFNTBPGGT1BPTGS2CYP19A1
SCHEMBL7662081 0.83 CYP51A1 (0.40) FNTAFNTBPGGT1BPTGS2NAMPT
SCHEMBL7571016 0.80 CYP19A1 (0.46) FNTAFNTBPGGT1BPTGS2CYP19A1
SCHEMBL7565371 0.77 NAMPT (0.35) NAMPTSLC6A4SLC6A3
SCHEMBL7562219 0.76 FNTA (0.47) FNTAFNTBPGGT1BPTGS2CYP19A1
SCHEMBL7569644 0.76 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8224926 0.75 FNTA (0.43) FNTAFNTBPGGT1BPTGS2CYP19A1
SCHEMBL7563110 0.74 FNTA (0.57) FNTAFNTBPGGT1B
SCHEMBL7585240 0.72 PTGS2 (0.43) FNTAFNTBPTGS2CYP19A1CYP3A4

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
EP-1025088-B1 IMIDAZOLE DERIVATIVES AND THEIR USE AS FARNESYL PROTEIN TRANSFERASE INHIBITORS ASTRAZENECA AB (SE) 2001-09-05 EP disclosed