SCHEMBL9500903

SCHEMBL9500903

CC(C)(C)NC(=O)C(=O)NN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
RAB9A P51151 3/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
EPHX1 P07099 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
NPC1 O15118 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33

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
SCHEMBL6859267 0.85 KDM4E (0.46) KDM4ERAB9ACYP2C9SMN1; SMN2LMNA
SCHEMBL9867071 0.75 KDM4E (0.31) KDM4E
SCHEMBL9868678 0.75 EPHX1 (0.40) KDM4EEPHX1MEN1KMT2APOLB
SCHEMBL301095 0.74
SCHEMBL5117544 0.74
SCHEMBL6289243 0.74 EPHX1 (0.37) KDM4ERAB9ACYP2C9SMN1; SMN2LMNA
SCHEMBL9867424 0.74 NPC1 (0.33) KDM4ERAB9AMEN1KMT2ANPC1
SCHEMBL9867432 0.74 KDM4E (0.31) KDM4E
SCHEMBL11281186 0.71 EPHX1 (0.44) KDM4ERAB9ACYP2C9SMN1; SMN2LMNA
SCHEMBL22366261 0.71 LMNA (0.39) KDM4ERAB9ACYP2C9SMN1; SMN2LMNA

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-5234897-A Defoliants;desiccants; selectively combating dicotyledon weeds in monocotyledon crops BAYER AKTIENGESELLSCHAFT (DE) 1993-08-10 US disclosed
US-5051517-A Reacting a chloroformidine hydrochloride with an oxamohydrazide, forming bonds between carbon and nitrogen and cyclization BAYER AKTIENGESELLSCHAFT (DE) 1991-09-24 US disclosed