SCHEMBL6915425

SCHEMBL6915425

CC1CC[C@@H](C(=O)NC(=O)[C@H](N)CC(C)(C)C)N1Cc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AAK1 Q2M2I8 1/20 0.34

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
SCHEMBL6919562 0.86 SCN9A (0.36) F2KMT2AMEN1APOBEC3AAPOBEC3G
SCHEMBL6077624 0.86 F2 (0.47) F2
SCHEMBL6921204 0.83 F2 (0.40) F2KMT2AMEN1L3MBTL1AAK1
Hydrochloric Acid SCHEMBL6919401 0.81 F2 (0.41) F2KMT2AMEN1APOBEC3AAPOBEC3G
SCHEMBL6915417 0.80 F2 (0.49) F2
SCHEMBL6915431 0.80 F2 (0.49) F2
SCHEMBL6078268 0.76 F2 (0.45) F2
SCHEMBL6077401 0.75 F2 (0.48) F2KMT2AMEN1
SCHEMBL6921239 0.73 F2 (0.38) F2KMT2AMEN1L3MBTL1AAK1
SCHEMBL6077615 0.73 F2 (0.60) F2

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
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO claimed
WO-2004032834-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2004-04-22 WO disclosed