SCHEMBL7997161

SCHEMBL7997161

Cc1cccc(C(=O)Nc2cccc(NC[C@@H](N)CS)c2)c1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.48
KCNK3 O14649 3/20 0.47
KCNK9 Q9NPC2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FNTA P49354 6/20 0.45
FNTB P49356 6/20 0.45
KMT2A Q03164 3/20 0.44
POLB P06746 2/20 0.44
PGGT1B P53609 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL7997160 1.00 F2R (0.48) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8868833 0.99 F2R (0.47) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8868826 0.99 F2R (0.47) F2RKCNK3KCNK9ALDH1A1SMN1; SMN2
SCHEMBL8000410 0.81 NPC1 (0.45) FNTAFNTBPGGT1B
SCHEMBL8000412 0.81 NPC1 (0.45) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8870297 0.80 NPC1 (0.44) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8870302 0.80 NPC1 (0.44) FNTAFNTBPGGT1B
SCHEMBL7995119 0.80 FNTA (0.48) SMN1; SMN2FNTAFNTBKMT2APGGT1B
SCHEMBL7993171 0.80 FNTA (0.48) SMN1; SMN2FNTAFNTBKMT2APGGT1B
SCHEMBL7993175 0.80 FNTA (0.48) SMN1; SMN2FNTAFNTBKMT2APGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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