SCHEMBL7657934

SCHEMBL7657934

COC(=O)[C@H](CCSC)NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 6/20 0.46
FNTB P49356 6/20 0.46
HTT P42858 1/20 0.44
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP26A1 O43174 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 2/20 0.38
CNR2 P34972 2/20 0.38
PGGT1B P53609 1/20 0.37
PTGS2 P35354 1/20 0.37
GAA P10253 1/20 0.37
CYP51A1 Q16850 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
SCHEMBL7660347 0.92 FNTA (0.54) FNTAFNTB
SCHEMBL7656231 0.88 FNTA (0.49) FNTAFNTBHTTKMT2ACYP3A4
SCHEMBL7667473 0.87 FNTA (0.54) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7656299 0.86 FNTA (0.52) FNTAFNTB
SCHEMBL7657939 0.83 CYP3A4 (0.41) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7657941 0.81 FNTA (0.37) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7668699 0.81 FNTA (0.51) FNTAFNTBPGGT1B
SCHEMBL7660594 0.81 CYP3A4 (0.43) FNTAFNTBCYP3A4CYP2D6CYP2C9
SCHEMBL7665403 0.80 CYP19A1 (0.41) PTGS2CYP51A1
SCHEMBL7654320 0.80 FNTA (0.53) FNTAFNTBTDP1PGGT1B

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
US-6410539-B1 ANTICARCINOGENIC AGENTS ASTRAZENCA UK LIMITED (GB) 2002-06-25 US claimed