SCHEMBL8560593

SCHEMBL8560593

O=[N+]([O-])c1ncccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
TRPV1 Q8NER1 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE10A Q9Y233 1/20 0.40
POLB P06746 2/20 0.39
S1PR4 O95977 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NFE2L2 Q16236 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL11821781 0.81 NPC1 (0.41) MEN1KMT2APDE10APOLBS1PR4
SCHEMBL12040240 0.81 L3MBTL1 (0.40) MEN1KMT2APDE10APOLBS1PR4
SCHEMBL28246029 0.79 ALDH1A1 (0.40) HSD11B1MEN1KMT2APOLBS1PR4
SCHEMBL7014776 0.79 KMT2A (0.43) MEN1KMT2APDE10APOLBS1PR4
SCHEMBL488499 0.77 KMT2A (0.56) MEN1KMT2APOLBS1PR4NPC1
SCHEMBL28058098 0.75 ALDH1A1 (0.37) HSD11B1TRPV1MEN1KMT2APOLB
SCHEMBL8562204 0.75 S1PR4 (0.38) HSD11B1POLBS1PR4ALDH1A1KDM4E
SCHEMBL8565240 0.75 KMT2A (0.51) MEN1KMT2APOLBS1PR4NPC1
SCHEMBL31481294 0.75 ALDH1A1 (0.37) HSD11B1TRPV1MEN1KMT2APOLB
SCHEMBL15616516 0.75 KMT2A (0.55) MEN1KMT2APOLBS1PR4NPC1

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
CN-108314646-A A kind of method of high dispersive bimetal nano material preparation urogenital system pharmaceutical intermediate 胡鹏 2018-07-24 CN disclosed
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
US-3937831-A CHLOROMETHYL NITROPYRIDINES AS ANTIMICROBIALS THE DOW CHEMICAL COMPANY (US) 1976-02-10 US disclosed