SCHEMBL9210366

SCHEMBL9210366

Cc1nn(C)c(CC#N)c1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.58
ATP4B P51164 6/20 0.58
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOB P27338 7/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 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
SCHEMBL8854236 0.78 PTGDR2 (0.48) ATP4AATP4BMEN1KMT2APKM
SCHEMBL27449494 0.75 SMN1; SMN2 (0.46) MEN1KMT2APKML3MBTL1SMN1; SMN2
SCHEMBL2192822 0.74 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL6036091 0.71 PKM (0.52) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL18838674 0.71 ATP4A (0.50) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL5793868 0.71 ATP4A (0.52) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL26690096 0.70 MAOB (0.44) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL9430549 0.69 ATP4A (0.37) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL1815961 0.69 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4MEN1
SCHEMBL11063006 0.69 ATP4A (0.67) ATP4AATP4BCYP1A2CYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0433899-B1 New pyrazolyl acrylic acid derivatives, useful as systemic fungicides for plant and material protection MITSUBISHI CHEM CORP (JP) 1995-04-12 EP disclosed
US-5128481-A Fungicides MITSUBISHI KASEI CORPORATION (JP) 1992-07-07 US disclosed
US-5055477-A PYRAZOLYL ACRYLIC ACID DERIVATIVES, USEFUL AS SYSTEMIC FUNGICIDES FOR PLANT AND MATERIAL PROTECTION MITSUBISHI KASEI CORPORATION (JP) 1991-10-08 US disclosed
EP-0433899-A1 New pyrazolyl acrylic acid derivatives, useful as systemic fungicides for plant and material protection Mitsubishi Chemical Corporation (JP) 1991-06-26 EP disclosed