SCHEMBL8211342

SCHEMBL8211342

CSCC[C@@H](CO)NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
CYP51A1 Q16850 5/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.39
PGGT1B P53609 2/20 0.38
TDP1 Q9NUW8 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
SCHEMBL7654320 0.91 FNTA (0.53) FNTAFNTBPGGT1BTDP1
SCHEMBL7669307 0.90 FNTA (0.45) FNTAFNTBCYP51A1CYP3A4CYP2D6
SCHEMBL7656231 0.89 FNTA (0.49) FNTAFNTBCYP51A1CYP3A4CYP2D6
SCHEMBL7660388 0.88 FNTA (0.56) FNTAFNTBPGGT1BTDP1
SCHEMBL7660594 0.86 CYP3A4 (0.43) FNTAFNTBCYP51A1CYP3A4CYP2D6
SCHEMBL7667473 0.86 FNTA (0.54) FNTAFNTBCYP51A1CYP3A4CYP2D6
SCHEMBL8224926 0.82 FNTA (0.43) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7656241 0.82 CYP51A1 (0.40) FNTAFNTBCYP51A1CYP3A4CYP2D6
SCHEMBL7656236 0.82 FNTA (0.49) FNTAFNTBCYP51A1CYP3A4CYP2D6
SCHEMBL7656582 0.81 CYP51A1 (0.49) CYP51A1CYP3A4CYP2D6CYP2C9CYP2C19

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 4 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 claimed
WO-1999041235-A1 FARNESYL TRANSFERASE INHIBITORS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO claimed
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