SCHEMBL6301913

SCHEMBL6301913

O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
ABCG2 Q9UNQ0 1/20 0.72
EPHX2 P34913 2/20 0.71
MAPT P10636 3/20 0.62
NPC1 O15118 3/20 0.62
MAPK1 P28482 2/20 0.62
RAB9A P51151 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MYOC Q99972 1/20 0.62
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA12 O43570 2/20 0.59
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
ALDH1A1 P00352 1/20 0.56
IGF1R P08069 1/20 0.54
MITF O75030 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL6937512 0.92 ABCG2 (0.63) MEN1KMT2AABCG2EPHX2MAPT
SCHEMBL8109093 0.92 MEN1 (0.78) MEN1KMT2AABCG2EPHX2MAPT
SCHEMBL11972898 0.88 RAB9A (0.68) MEN1KMT2AABCG2MAPTNPC1
SCHEMBL13428706 0.88 RAB9A (0.68) MEN1KMT2AABCG2MAPTNPC1
SCHEMBL1177730 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL6302157 0.86 MEN1 (1.00) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL17103677 0.86 TRPV1 (0.72) MEN1KMT2AABCG2MAPTMAPK1
SCHEMBL29572518 0.86 TRPV1 (0.72) MEN1KMT2AABCG2MAPTMAPK1
SCHEMBL6302455 0.85 ABCG2 (0.63) MEN1KMT2AABCG2EPHX2MAPT
SCHEMBL6826190 0.85 CXCR1 (0.70) MEN1KMT2AABCG2EPHX2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119143633-A Nitrobenzene-containing urea compound and preparation method and application thereof 西安交通大学 2024-12-17 CN disclosed
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed
EP-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 WO disclosed
EP-0015110-B1 ANTICOCCIDIAL COMPOSITION, CARBANILIDES AND METHOD OF PREPARING THEM ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed
US-4526997-A Amino, nitro, fluoro substituted carbanilides DOHERTY GEORGE O P O 1985-07-02 US disclosed
US-4468380-A Anticoccidial combinations comprising polyether antibiotics and carbanilides ELI LILLY AND COMPANY (US) 1984-08-28 US disclosed
EP-0015110-A2 Anticoccidial composition, carbanilides and method of preparing them ELI LILLY AND COMPANY (US) 1980-09-03 EP disclosed
US-3867544-A 4-Nitro-4{40 -(trifluoromethyl) carbanilide employed in animal husbandry DOW CHEMICAL CO 1975-02-18 US disclosed