SCHEMBL9019030

SCHEMBL9019030

COn1c(-c2ccc(Cl)cc2)c([N+](=O)[O-])c(C(=O)O)c1C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
DHODH Q02127 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ACHE P22303 1/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 2/20 0.32
AHR P35869 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
AR P10275 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
SCHEMBL9019037 0.69 NPC1 (0.42) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL9019088 0.66 KMT2A (0.43) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL7508807 0.66 LMNA (0.34) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL9015053 0.64 PSD (0.39) MEN1KMT2AALDH1A1PTGS2
SCHEMBL8986687 0.63 KMT2A (0.43) MEN1KMT2ADHODHNPC1RAB9A
SCHEMBL9015100 0.62 NR1D1 (0.34) MEN1KMT2AMAPTLMNAPTGS2
SCHEMBL9840615 0.62 CNR1 (0.45) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL25329286 0.61 TDP1 (0.61) MEN1KMT2ARAB9AMAPTLMNA
SCHEMBL10541914 0.60 TDP1 (0.39) MEN1KMT2ADHODHRAB9AALDH1A1
SCHEMBL6217472 0.60 ALDH1A1 (0.41) MEN1KMT2AMAPTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434940-B1 N-oxygenated arylpyrrole, insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID CO (US) 1996-05-29 EP disclosed
US-5399716-A N-oxygenated arylpyrrole insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1995-03-21 US disclosed
US-5347016-A N-oxygenated arylpyrrole intermediates for insecticidal, acaricidal and nematicidal agents AMERICAN CYANAMID COMPANY (US) 1994-09-13 US disclosed
US-5232979-A Insecticides, miticides, nematocides AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5102904-A N-OXYGENATED ARYLPYRROLE INSECTICIDAL, ACARICIDAL AND NEMATICIDAL AGENTS AND USE THEREAS AMERICAN CYANAMID COMPANY (US) 1992-04-07 US disclosed