SCHEMBL7931033

SCHEMBL7931033

CC(C)CC(C(=O)[C@](CC(C)C)(C(=O)NN)[C@H](C/C=C/c1ccccc1)C(=O)OC(C)(C)C)c1nnn[nH]1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.33
MAPK1 P28482 3/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 2/20 0.33
NPSR1 Q6W5P4 6/20 0.33
POLB P06746 6/20 0.33
TDP1 Q9NUW8 3/20 0.33
RECQL P46063 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GHSR Q92847 2/20 0.33
GAA P10253 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31

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
SCHEMBL7957560 0.80 GHSR (0.37) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL7931036 0.75 GHSR (0.32) GHSR
SCHEMBL6220497 0.68 ADAM17 (0.48) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL6986484 0.68 ADAM17 (0.48) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL6220493 0.68 ADAM17 (0.48) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL6220502 0.68 ADAM17 (0.48) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL6984686 0.68 ADAM17 (0.48) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL6220496 0.68 ADAM17 (0.48) MAPTMAPK1KMT2AATMNPSR1
SCHEMBL6982902 0.66 ADAM17 (0.46) MAPTMAPK1KMT2AATM
SCHEMBL6942351 0.65 HTR2A (0.36) MAPTKMT2AMEN1ALDH1A1

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-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed