SCHEMBL7782147

SCHEMBL7782147

CS(=O)(=O)CC[C@@H](CN(Cc1cccc(Cl)c1)C(=O)OCc1ccccc1)NC(Cc1ccc(C#N)cc1)c1cnc[nH]1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
CYP19A1 P11511 2/20 0.37
PGGT1B P53609 1/20 0.36
HRAS P01112 7/20 0.35
NR3C1 P04150 1/20 0.34
CTSL P07711 2/20 0.33
CTSB P07858 2/20 0.33
CTSS P25774 2/20 0.33
CNR1 P21554 1/20 0.32

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
SCHEMBL7782148 1.00 FNTA (0.37) FNTAFNTBCYP19A1PGGT1BHRAS
Hydrochloric Acid SCHEMBL8300866 0.99 FNTA (0.37) FNTAFNTBCYP19A1PGGT1BHRAS
Hydrochloric Acid SCHEMBL8300863 0.99 FNTA (0.37) FNTAFNTBCYP19A1PGGT1BHRAS
SCHEMBL8620754 0.80 CYP19A1 (0.38) FNTAFNTBCYP19A1PGGT1BCNR1
SCHEMBL8080364 0.79 FNTA (0.45) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8392309 0.78 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL8571106 0.73 HRAS (0.36) FNTAFNTBHRASCTSLCTSB
SCHEMBL8387631 0.72 BACE1 (0.43) CTSL
SCHEMBL8387624 0.72 BACE1 (0.43) CTSL
SCHEMBL7811238 0.65 FNTA (0.37) FNTAFNTBCYP19A1CNR1

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
JP-2001518281-A 2001-10-16 JP claimed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed