SCHEMBL8937028

SCHEMBL8937028

COC(=O)[C@H](CCSC)NC(=O)c1cccc(NCCCc2c[nH]cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
FNTA P49354 9/20 0.46
FNTB P49356 9/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 2/20 0.40

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
Hydrochloric Acid SCHEMBL8936984 0.99 TAS1R3 (0.46) TAS1R3TAS1R1FNTAFNTBL3MBTL1
SCHEMBL8936950 0.97 FNTA (0.45) TAS1R3TAS1R1FNTAFNTBL3MBTL1
SCHEMBL8367864 0.91 FNTA (0.49) FNTAFNTB
Hydrochloric Acid SCHEMBL8366423 0.91 FNTA (0.48) FNTAFNTB
SCHEMBL9005958 0.90 FNTA (0.50) TAS1R3TAS1R1FNTAFNTBL3MBTL1
SCHEMBL8369462 0.90 FNTA (0.50) TAS1R3TAS1R1FNTAFNTBL3MBTL1
SCHEMBL9005974 0.81 FNTA (0.54) FNTAFNTB
SCHEMBL8367856 0.81 FNTA (0.54) FNTAFNTB
SCHEMBL8937032 0.80 FNTA (0.59) TAS1R3TAS1R1FNTAFNTBL3MBTL1
SCHEMBL8995686 0.80 FNTA (0.58) TAS1R3TAS1R1FNTAFNTBL3MBTL1

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
WO-1996030015-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US claimed
US-5578629-A ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 1996-11-26 US disclosed
US-5534537-A Prodrugs of inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1996-07-09 US disclosed