SCHEMBL8561589

SCHEMBL8561589

NC1CC1c1c([N+](=O)[O-])nc2ccccc2c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 7/20 0.34
MAOB P27338 7/20 0.34
CYP2C19 P33261 4/20 0.33
CYP2B6 P20813 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
KDM1B Q8NB78 1/20 0.33

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
SCHEMBL8569473 0.85 BCHE (0.40) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8563673 0.79 CYP3A4 (0.36) KDM1AKMT2AMEN1MAPTMAPK1
SCHEMBL8211008 0.68 KMT2A (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8563654 0.68 KDM1A (0.37) KDM1AMAOAMAOBKDM1BKCNH2
SCHEMBL8564523 0.67 KDM4E (0.53) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8561732 0.66 PRKAA2 (0.43) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL28528656 0.66 CYP3A4 (0.48) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL11667039 0.65 MAPT (0.48) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8561932 0.65 KDM4E (0.46) KMT2AMEN1MAPTMAPK1SMN1; SMN2
SCHEMBL8562365 0.65 ACHE (0.40) KMT2AMEN1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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