SCHEMBL8453441

SCHEMBL8453441

N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.59
DNMT1 P26358 1/20 0.58

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
SCHEMBL12933693 0.84 MME (0.52) KIF11
Hydrochloric Acid SCHEMBL2788157 0.83 MME (0.51) KIF11
Hydrochloric Acid SCHEMBL2788161 0.83 MME (0.51) KIF11
SCHEMBL18712550 0.83 KIF11 (0.60) KIF11DNMT1
SCHEMBL7724246 0.83 KIF11 (0.60) KIF11DNMT1
SCHEMBL7724250 0.83 KIF11 (0.60) KIF11DNMT1
SCHEMBL14920935 0.83 KIF11 (0.58) KIF11DNMT1
SCHEMBL14432704 0.82 KIF11 (0.59) KIF11DNMT1
SCHEMBL14432701 0.82 KIF11 (0.59) KIF11DNMT1
SCHEMBL21084920 0.81 KIF11 (0.65) KIF11DNMT1

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
US-5877030-A REACTING AMINO ACID MOLECULES WITH REACTIVE XANTHENE DERIVATIVES, COMBINATORIAL LIBRARIES SILICON VALLEY BANK 1999-03-02 US disclosed
WO-1998035923-A1 PROCESS FOR CREATING MOLECULAR DIVERSITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-08-20 WO disclosed