SCHEMBL11474339

SCHEMBL11474339

CC(C)(C)NC(=O)C(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.53
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PTPN1 P18031 1/20 0.45
CDC25B P30305 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GMNN O75496 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL6464894 0.83 PLK1 (0.66) PLK1NR4A1NR4A2NR4A3MMP3
SCHEMBL7218991 0.78 NR4A1 (0.71) PLK1NR4A1NR4A2NR4A3MMP3
SCHEMBL29494693 0.78 NR4A1 (0.71) PLK1NR4A1NR4A2NR4A3MMP3
SCHEMBL9826699 0.77 LMNA (0.48) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL11583883 0.77 ALDH1A1 (0.56) PLK1NR4A1NR4A2NR4A3MMP3
SCHEMBL28590614 0.76 CES2 (0.59) ADRB2ADRB1ADRB3MEN1KMT2A
SCHEMBL11471653 0.75 SMN1; SMN2 (0.42) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL11585929 0.74 NR4A1 (0.61) PLK1NR4A1NR4A2NR4A3MMP3
SCHEMBL9614463 0.74 NR4A1 (0.65) PLK1NR4A1NR4A2NR4A3MMP3
Dimethylamine SCHEMBL26099895 0.74 PLK1 (0.62) PLK1NR4A1NR4A2NR4A3MMP3

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-4228082-A FUNGICIDES OR CHEMICAL INTERMIDIATES FOR 1,2,4-TRIAZINONE HERBICIDES DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-10-14 US disclosed
US-4224226-A FUNGICIDES BY CONDENSING AN ACYL CYANIDE WITH EITHER A TERTIARY ALCOHOL OR AN ALKENE DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1980-09-23 US disclosed