SCHEMBL8224922

SCHEMBL8224922

CSCC[C@@H](CO)Nc1ccc(COC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.43
PTGS2 P35354 1/20 0.42
CYP3A4 P08684 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
KMT2A Q03164 2/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ORAI1 Q96D31 2/20 0.37
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL7565388 0.80 PTGS2 (0.46) IDO1PTGS2CYP51A1
SCHEMBL7562577 0.80 FNTA (0.55) PTGS2
SCHEMBL7563102 0.78 FNTA (0.58) PTGS2
SCHEMBL7568524 0.77 PTGS2 (0.50) IDO1PTGS2CYP3A4TDP1CYP1A2
SCHEMBL7561783 0.76 PTGS2 (0.43) IDO1PTGS2CYP3A4TDP1CYP1A2
SCHEMBL7585240 0.76 PTGS2 (0.43) IDO1PTGS2CYP3A4TDP1CYP1A2
SCHEMBL7563092 0.76 PTGS2 (0.52) IDO1PTGS2CYP3A4TDP1CYP1A2
SCHEMBL7694133 0.74 FNTA (0.43) IDO1PTGS2CYP3A4TDP1CYP1A2
SCHEMBL7692685 0.74 HTT (0.35)
SCHEMBL7562645 0.73 FNTA (0.42) IDO1PTGS2CYP3A4TDP1ALDH1A1

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