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Sugi Predict / Compounds / SCHEMBL7667482

SCHEMBL7667482

SCHEMBL7667482

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.43
▸ CYP51A1 Q16850 6/20 0.42
▸ FNTA P49354 4/20 0.40
▸ FNTB P49356 4/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PGGT1B P53609 1/20 0.39

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
SCHEMBL7656241 0.97 CYP51A1 (0.40) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7660603 0.88 PTGS2 (0.40) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7657941 0.87 FNTA (0.37) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7662081 0.86 CYP51A1 (0.40) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7660388 0.85 FNTA (0.56) FNTAFNTBPGGT1B
SCHEMBL7667473 0.83 FNTA (0.54) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7666173 0.83 PTGS2 (0.44) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7654320 0.82 FNTA (0.53) FNTAFNTBPGGT1B
SCHEMBL7561783 0.82 PTGS2 (0.43) PTGS2CYP51A1FNTAFNTBCYP3A4
SCHEMBL7585240 0.82 PTGS2 (0.43) PTGS2CYP51A1FNTAFNTBCYP3A4

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