SCHEMBL8302399

SCHEMBL8302399

CSCC[C@H](NC(=O)CNCc1ccccc1C#N)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.49
FNTB P49356 7/20 0.49
LTA4H P09960 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL8302395 1.00 FNTA (0.49) FNTAFNTBLTA4HNPSR1ALDH1A1
SCHEMBL8145327 0.89 CYP3A4 (0.52) FNTAFNTB
SCHEMBL8145328 0.89 CYP3A4 (0.52) FNTAFNTB
SCHEMBL8159389 0.84 FNTA (0.53) FNTAFNTBLTA4HNPSR1ALDH1A1
SCHEMBL8159392 0.84 FNTA (0.53) FNTAFNTBLTA4HNPSR1ALDH1A1
SCHEMBL8306434 0.81 KMT2A (0.52) FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL8439130 0.81 FNTA (0.63) FNTAFNTBNPSR1ALDH1A1
SCHEMBL7751346 0.81 FNTA (0.63) FNTAFNTBNPSR1ALDH1A1
SCHEMBL8306433 0.81 KMT2A (0.52) FNTAFNTBALDH1A1SMN1; SMN2
SCHEMBL8307525 0.81 FNTA (0.58) FNTAFNTBLTA4HNPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP disclosed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO disclosed