SCHEMBL7667477

SCHEMBL7667477

CSC(C)C[C@H](NC(=O)c1ccc(NC(Cn2ccnc2)c2ccc(F)cc2)cc1-c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.53
FNTB P49356 5/20 0.53
PGGT1B P53609 4/20 0.53
PTGS2 P35354 1/20 0.48
CYP3A4 P08684 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP51A1 Q16850 5/20 0.45
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
SCHEMBL7656236 0.98 FNTA (0.49) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7660388 0.88 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL7666171 0.88 FNTA (0.49) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7660599 0.88 FNTA (0.46) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7657939 0.87 CYP3A4 (0.41) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7662078 0.86 FNTA (0.49) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7654320 0.86 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7659533 0.84 CYP51A1 (0.46) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7667473 0.83 FNTA (0.54) FNTAFNTBPGGT1BPTGS2CYP3A4
SCHEMBL7657896 0.82 CYP51A1 (0.44) FNTAFNTBPGGT1BPTGS2CYP3A4

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