SCHEMBL7656231

SCHEMBL7656231

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.49
FNTB P49356 5/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP26A1 O43174 2/20 0.45
CYP3A4 P08684 3/20 0.45
CYP2C19 P33261 3/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP51A1 Q16850 2/20 0.43
PTGS2 P35354 1/20 0.43
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL7667473 0.97 FNTA (0.54) FNTAFNTBTDP1CYP26A1CYP3A4
SCHEMBL7660594 0.93 CYP3A4 (0.43) FNTAFNTBTDP1CYP3A4CYP2C19
SCHEMBL7654320 0.92 FNTA (0.53) FNTAFNTBTDP1
SCHEMBL7669307 0.92 FNTA (0.45) FNTAFNTBTDP1CYP3A4CYP2C19
SCHEMBL7660388 0.90 FNTA (0.56) FNTAFNTBTDP1
SCHEMBL8211342 0.89 FNTA (0.42) FNTAFNTBTDP1CYP3A4CYP2C19
SCHEMBL7662073 0.89 CYP26A1 (0.45) FNTAFNTBCYP26A1CYP3A4CYP2C19
SCHEMBL7657934 0.88 FNTA (0.46) FNTAFNTBTDP1CYP26A1CYP3A4
SCHEMBL7653706 0.83 PTGS2 (0.47) CYP26A1CYP3A4CYP2C19CYP2D6CYP2C9
SCHEMBL7656236 0.82 FNTA (0.49) FNTAFNTBCYP3A4CYP2C19CYP2D6

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