SCHEMBL8961398

SCHEMBL8961398

CC[C@H](C)[C@H](NC[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCOC1=O

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 9/20 0.45
REN P00797 9/20 0.43
KMT2A Q03164 1/20 0.42
CTSD P07339 1/20 0.39

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
SCHEMBL5891423 0.86 FNTA (0.39) SCN9ARENKMT2A
SCHEMBL8079882 0.86 FNTA (0.39) SCN9ARENKMT2A
SCHEMBL9437492 0.84 SCN9A (0.44) SCN9ARENKMT2ACTSD
SCHEMBL8075177 0.83 KDM4E (0.34) SCN9AREN
SCHEMBL8065171 0.82 SYK (0.35) SCN9ARENKMT2A
SCHEMBL8075650 0.81 CTRB1 (0.34) SCN9ARENCTSD
SCHEMBL8075466 0.81 SCN9A (0.33) SCN9AREN
SCHEMBL8065509 0.81 KMT2A (0.33) SCN9ARENKMT2A
SCHEMBL8065165 0.80 KMT2A (0.32) SCN9ARENKMT2A
SCHEMBL7513070 0.80 SCN9A (0.61) SCN9AREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480893-A ANTITUMOR MERCK & CO., INC. (US) 1996-01-02 US disclosed