SCHEMBL9058962

SCHEMBL9058962

CC(C)(Cn1c(Cl)c(C#N)c(Br)c1-c1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.37
CCR2 P41597 1/20 0.35
MAPK14 Q16539 1/20 0.34
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
GRIA2 P42262 3/20 0.33
GRIA4 P48058 3/20 0.33
SLC22A12 Q96S37 2/20 0.33
ABL1 P00519 2/20 0.33
RPA1 P27694 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1B1 P15121 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
IDO1 P14902 1/20 0.31
RIPK2 O43353 1/20 0.31

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
SCHEMBL9055776 0.88 P2RX3 (0.37) P2RX3CCR2METKDRGRIA2
SCHEMBL8994474 0.77 CCR2 (0.35) CCR2MAPK14METKDRGRIA2
SCHEMBL7501169 0.75 NPC1 (0.38) CCR2METKDRRPA1POLB
SCHEMBL8994492 0.74 MAPK14 (0.46) MAPK14MEN1KMT2AIDO1
SCHEMBL8994485 0.73 KDM4E (0.38) CCR2MAPK14ABL1MEN1KMT2A
SCHEMBL9057391 0.71 GRIA2 (0.38) P2RX3GRIA2GRIA4PTGDR2
SCHEMBL8994490 0.70 MAPK14 (0.42) MAPK14METKDRMEN1KMT2A
SCHEMBL8994475 0.69 MEN1 (0.34) CCR2MAPK14METKDRRPA1
SCHEMBL7509402 0.68 NOTUM (0.39) CCR2METKDRABL1MEN1
SCHEMBL9216319 0.67 MAP3K14 (0.39) MAPK14METKDRRPA1MEN1

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
EP-0426948-B1 Arylpyrrole insecticidal acaricidal and nematicidal agents and methods AMERICAN CYANAMID CO (US) 1996-05-08 EP disclosed
EP-0426948-A1 Arylpyrrole insecticidal acaricidal and nematicidal agents and methods AMERICAN CYANAMID COMPANY (US) 1991-05-15 EP disclosed