SCHEMBL7703414

SCHEMBL7703414

NC(=O)CC[C@H](NC(=O)c1ccc(CC(Cn2ccnc2)c2nccs2)cc1-c1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.45
FNTB P49356 4/20 0.45
PGGT1B P53609 1/20 0.45
AGTR2 P50052 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 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
SCHEMBL7708877 0.84 NPC1 (0.41) FNTAFNTBPGGT1BCYP3A4CYP2D6
SCHEMBL8198609 0.83 FNTA (0.39) FNTAFNTBPGGT1B
SCHEMBL7240383 0.82 FNTA (0.41) FNTAFNTBPGGT1BAGTR2CYP3A4
SCHEMBL8383788 0.77 FNTA (0.45) FNTAFNTBPGGT1BAGTR2CYP3A4
SCHEMBL8205752 0.77 FNTA (0.45) FNTAFNTBPGGT1BAGTR2CYP3A4
SCHEMBL7659533 0.75 CYP51A1 (0.46) FNTAFNTBPGGT1BCYP3A4CYP2D6
SCHEMBL7563466 0.72 FNTA (0.51) FNTAFNTB
SCHEMBL7562210 0.72 FNTA (0.41) FNTAFNTBPGGT1BCYP3A4CYP2D6
SCHEMBL7709034 0.71 FNTA (0.43) FNTAFNTB
SCHEMBL6777942 0.70 FNTA (0.65) FNTAFNTB

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