SCHEMBL8000412

SCHEMBL8000412

Cc1ccc(NC[C@@H](N)CS)cc1C(=O)Nc1cccc(C)c1C

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FNTA P49354 8/20 0.45
FNTB P49356 8/20 0.45
PGGT1B P53609 5/20 0.44
SMO Q99835 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL8000410 1.00 NPC1 (0.45) NPC1LMNATP53TSHRHTT
Hydrochloric Acid SCHEMBL8870302 0.99 NPC1 (0.44) NPC1LMNATP53TSHRHTT
Hydrochloric Acid SCHEMBL8870297 0.99 NPC1 (0.44) NPC1LMNATP53TSHRHTT
SCHEMBL7993175 0.86 FNTA (0.48) NPC1LMNATP53HTTRAB9A
SCHEMBL7993171 0.86 FNTA (0.48) NPC1LMNATP53HTTRAB9A
SCHEMBL7995119 0.86 FNTA (0.48) NPC1LMNATP53HTTRAB9A
Hydrochloric Acid SCHEMBL8869226 0.85 FNTA (0.47) NPC1LMNATP53HTTRAB9A
Hydrochloric Acid SCHEMBL7982918 0.85 FNTA (0.47) NPC1LMNATP53HTTRAB9A
Hydrochloric Acid SCHEMBL7982923 0.85 FNTA (0.47) NPC1LMNATP53HTTRAB9A
SCHEMBL7993272 0.81 MAPT (0.48) NPC1LMNATP53HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP claimed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP claimed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO claimed
EP-0817629-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-03-08 EP disclosed
EP-0817629-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-01-14 EP disclosed
US-5631280-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1997-05-20 US disclosed
WO-1996030014-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1996-10-03 WO disclosed