SCHEMBL7708968

SCHEMBL7708968

CSC(C[C@H](NC(=O)c1ccc(C=C(Cn2ccnc2)c2nccs2)cc1-c1ccc(F)cc1)C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.42
FNTB P49356 8/20 0.42
PGGT1B P53609 1/20 0.42
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP51A1 Q16850 4/20 0.34
PTGS2 P35354 1/20 0.32

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
SCHEMBL7703362 0.88 FNTA (0.48) FNTAFNTB
SCHEMBL7703365 0.88 FNTA (0.48) FNTAFNTB
SCHEMBL7706075 0.85 FNTA (0.40) FNTAFNTBPGGT1BCYP3A4CYP2C19
SCHEMBL7706068 0.85 FNTA (0.40) FNTAFNTBPGGT1BCYP3A4CYP2C19
SCHEMBL8210052 0.84 FNTA (0.35) FNTAFNTBPGGT1B
SCHEMBL7708966 0.84 FNTA (0.39) FNTAFNTBPGGT1BCYP3A4CYP2C19
SCHEMBL8198535 0.83 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8205645 0.83 FNTA (0.54) FNTAFNTBPGGT1B
SCHEMBL8213988 0.82 FNTA (0.43) FNTAFNTBPGGT1B
SCHEMBL7709026 0.81 FNTA (0.47) FNTAFNTBPGGT1BCYP3A4CYP2C19

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
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US claimed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed