SCHEMBL7045375

SCHEMBL7045375

CCOc1cccc(C(=O)NNC(C)(C)C)c1C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.49
HCRTR1 O43613 2/20 0.48
RXFP1 Q9HBX9 2/20 0.45
KCNK3 O14649 3/20 0.43
KCNK9 Q9NPC2 3/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNMA1 Q12791 1/20 0.41

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
SCHEMBL7038663 0.85 HCRTR1 (0.47) HCRTR1RXFP1KCNK3KCNK9GAA
SCHEMBL7039865 0.84 ABCB1 (0.52)
SCHEMBL29778078 0.84 ABCB1 (0.52)
SCHEMBL30014073 0.81 EZH2 (0.57) EZH2HCRTR1KCNK3KCNK9GAA
SCHEMBL28277840 0.80 KAT6A (0.40) GAAALDH1A1POLBKMT2A
SCHEMBL8174016 0.77 NPC1 (0.46) GAAALDH1A1POLBMEN1KMT2A
SCHEMBL17624705 0.76 CD38 (0.38) HCRTR1ALDH1A1
SCHEMBL2345074 0.76 PTGER1 (0.52) EZH2HCRTR1MEN1KMT2A
SCHEMBL28276332 0.75 KCNK3 (0.40) KCNK3KCNK9MAPTALDH1A1MEN1
SCHEMBL668914 0.75 LMNA (0.46) KCNK3KCNK9GAAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982292-B1 Process for the preparation of monoacylhydrazines using carboxylic acids DOW AGROSCIENCES LLC (US) 2003-03-26 EP disclosed
US-6096890-A Process for substituted hydrazides using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-08-01 US disclosed
EP-0982292-A2 Process for the preparation of monoacylhydrazines using carboxylic acids ROHM AND HAAS COMPANY (US) 2000-03-01 EP disclosed