SCHEMBL2298299

SCHEMBL2298299

CC(O)CN1C(=O)C(O)=C(C(=O)c2ccc(C#N)cc2)C1c1ccc(C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 13/20 0.67
S100A10 P60903 13/20 0.67
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 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
SCHEMBL2234993 0.87 ANXA2 (0.65) ANXA2S100A10MEN1KMT2AKDM4E
SCHEMBL2232974 0.87 ANXA2 (0.65) ANXA2S100A10ALDH1A1
SCHEMBL2234809 0.86 ANXA2 (0.65) ANXA2S100A10MEN1KMT2AKDM4E
SCHEMBL2236184 0.84 ANXA2 (0.55) ANXA2S100A10MEN1KMT2ARXFP1
SCHEMBL2233843 0.80 ANXA2 (0.66) ANXA2S100A10MEN1KMT2AKDM4E
SCHEMBL2232280 0.80 ANXA2 (0.68) ANXA2S100A10MEN1KMT2AKDM4E
SCHEMBL949928 0.79 RXFP1 (0.49) ANXA2S100A10MEN1KMT2AKDM4E
SCHEMBL2231482 0.78 ANXA2 (0.58) ANXA2S100A10MEN1KMT2ARXFP1
SCHEMBL2235370 0.78 ANXA2 (0.53) ANXA2S100A10KDM4ECRHBPCRHR2
SCHEMBL6115864 0.78 RXFP1 (0.49) ANXA2S100A10MEN1KMT2AKDM4E

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-2011092505-A1 S100 PROTEIN BINDING INTERACTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-04 WO claimed
WO-2011092505-A1 S100 PROTEIN BINDING INTERACTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-04 WO disclosed