SCHEMBL6676204

SCHEMBL6676204

N#CCc1ccc(N2C(=O)c3ccccc3C2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NR1H3 Q13133 4/20 0.43
GRM1 Q13255 1/20 0.43
SCN2A Q99250 3/20 0.41
PIM3 Q86V86 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
GRM5 P41594 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 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
SCHEMBL6676236 0.82 KMT2A (0.49) MEN1KMT2ANR1H3GRM1SCN2A
SCHEMBL6675730 0.79 NR1H3 (0.52) MEN1KMT2ANR1H3GRM1PPARG
SCHEMBL22129208 0.76 AR (0.55) MEN1KMT2ANR1H3GRM1SCN2A
SCHEMBL15827532 0.74 NR1H3 (0.67) MEN1KMT2ANR1H3SCN2AGAA
SCHEMBL6676671 0.73 KMT2A (0.72) MEN1KMT2ANR1H3GRM1SCN2A
SCHEMBL31551666 0.71 CYP11B1 (0.47)
SCHEMBL6676186 0.71 ESR1 (0.47) NR1H3GRM1SCN2AGRM5CA1
SCHEMBL6689272 0.70 MEN1 (0.53) MEN1KMT2ANR1H3SCN2APIM3
SCHEMBL7360730 0.70 SCN2A (0.62) MEN1KMT2ANR1H3GRM1SCN2A
SCHEMBL10999030 0.70 KMT2A (0.62) MEN1KMT2ANR1H3SCN2APIM3

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-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
CN-1075808-C Aniline derivatives having nitric oxide synthase inhibitory activity CHUGAI PHARMACEUTICAL CO LTD (JP) 2001-12-05 CN disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed