SCHEMBL8560822

SCHEMBL8560822

O=[N+]([O-])c1ccncc1C1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RPS6KA3 P51812 1/20 0.42
MKNK1 Q9BUB5 2/20 0.36
MKNK2 Q9HBH9 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 3/20 0.36
HTR2C P28335 3/20 0.36
HRH3 Q9Y5N1 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
RAB9A P51151 1/20 0.35
CHUK O15111 1/20 0.35
GAA P10253 1/20 0.34
HTR6 P50406 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL8748376 0.78 HTR2C (0.51) MEN1KMT2AHTTMAPTHTR2C
SCHEMBL793501 0.76 MEN1 (0.51) MEN1KMT2ARPS6KA3ALDH1A1HTT
SCHEMBL14521403 0.72 MEN1 (0.75) MEN1KMT2AALDH1A1HTTMAPT
SCHEMBL24610442 0.72 RPS6KA3 (0.44) RPS6KA3MKNK1MKNK2HTR2CHRH3
SCHEMBL8567927 0.72 PIM1 (0.36) RPS6KA3MAPTHTR2CHRH3GABRA1
Hydrochloric Acid SCHEMBL4091933 0.71 IKBKB (0.48) MEN1KMT2AMKNK1MKNK2CHUK
SCHEMBL8564380 0.71 MAPT (0.36) MEN1KMT2AMKNK1MKNK2ALDH1A1
SCHEMBL8561395 0.70 HTR1A (0.49) HTR2C
SCHEMBL8561865 0.70 MAPT (0.44) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL20191065 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1HTTMAPT

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