SCHEMBL7706098

SCHEMBL7706098

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.42
FNTB P49356 4/20 0.42
PGGT1B P53609 1/20 0.42
CYP51A1 Q16850 5/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP19A1 P11511 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP26A1 O43174 2/20 0.37

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
SCHEMBL7706093 1.00 FNTA (0.42) FNTAFNTBPGGT1BCYP51A1CYP3A4
SCHEMBL8233409 0.91 CYP51A1 (0.41) FNTAFNTBPGGT1BCYP51A1CYP3A4
SCHEMBL7703289 0.90 CYP3A4 (0.38) FNTAFNTBPGGT1BCYP51A1CYP3A4
SCHEMBL7706068 0.90 FNTA (0.40) FNTAFNTBPGGT1BCYP51A1CYP3A4
SCHEMBL7706075 0.90 FNTA (0.40) FNTAFNTBPGGT1BCYP51A1CYP3A4
SCHEMBL7703301 0.89 FNTA (0.52) FNTAFNTB
SCHEMBL7703293 0.89 FNTA (0.52) FNTAFNTB
SCHEMBL8360606 0.89 FNTA (0.52) FNTAFNTB
SCHEMBL7706099 0.88 FNTA (0.42) FNTAFNTBPGGT1BCYP51A1CYP3A4
SCHEMBL7706104 0.88 FNTA (0.42) FNTAFNTBPGGT1BCYP51A1CYP3A4

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