SCHEMBL7138598

SCHEMBL7138598

COC(=O)C(CCSC)NC(=O)c1ccc(C(=O)Nc2ccccn2)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.56
FNTB P49356 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 2/20 0.55
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL6777591 1.00 FNTA (0.56) FNTAFNTBTDP1KMT2ATAS1R3
SCHEMBL6672029 0.92 FNTA (0.54) FNTAFNTBTDP1CHRNB2CHRNB4
SCHEMBL6672018 0.92 FNTA (0.54) FNTAFNTBTDP1CHRNB2CHRNB4
SCHEMBL6776535 0.87 FNTA (0.53) FNTAFNTBTDP1KMT2AMEN1
SCHEMBL6774486 0.85 FNTA (0.57) FNTAFNTBTDP1KMT2A
SCHEMBL6774491 0.85 FNTA (0.57) FNTAFNTBTDP1KMT2A
SCHEMBL6626106 0.85 FNTA (0.65) FNTAFNTBTDP1KMT2ATAS1R3
SCHEMBL6678981 0.83 KMT2A (0.61) FNTAFNTBTDP1KMT2ATAS1R3
SCHEMBL6672023 0.82 NPC1 (0.44) FNTAFNTBTDP1KMT2ACHRNB2
SCHEMBL6772100 0.81 FNTA (0.56) FNTAFNTBTDP1KMT2ATAS1R3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873123-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2003-04-09 EP disclosed
EP-0873123-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 1999-02-03 EP disclosed
EP-0873123-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-10-28 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed