SCHEMBL8304600

SCHEMBL8304600

Cc1nn(Cc2ccccc2)c(C)c1-n1nn[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.45
BRD4 O60885 1/20 0.44
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
PTGDR2 Q9Y5Y4 3/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8302407 0.79 SMN1; SMN2 (0.33) KDM4EALDH1A1LMNA
SCHEMBL5905968 0.74 IDO1 (0.49) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL8308222 0.72 POLB (0.50) POLBKDM4EMAPTHPGDMEN1
SCHEMBL8308641 0.72 NOTUM (0.47) KDM4EMAPTHPGDMEN1KMT2A
SCHEMBL8302340 0.71 LMNA (0.33) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL12281117 0.69 KDM4E (0.69) POLBKDM4EMAPTHPGDMEN1
SCHEMBL7833852 0.69 HPGD (0.53) POLBKDM4EMAPTHPGDMEN1
SCHEMBL9283536 0.68 POLB (0.45) POLBKDM4EMAPTHPGDMEN1
SCHEMBL8977225 0.68 ALDH1A1 (0.39) POLBMEN1KMT2AALDH1A1NPSR1
SCHEMBL24000166 0.67 ALDH1A1 (0.65) KMT2AALDH1A1NPSR1GAALMNA

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-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 EP disclosed