SCHEMBL8570733

SCHEMBL8570733

O=[N+]([O-])c1cc(CCl)c2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 10/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
OPRK1 P41145 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 5/20 0.40
MAPT P10636 5/20 0.40
MAPK1 P28482 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.39
XBP1 P17861 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
SCHEMBL8562778 0.83 RIPK1 (0.47) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8601044 0.80 MAPT (0.40) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL3298254 0.78 KMT2A (0.54) ALDH1A1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL8563057 0.78 POLB (0.46) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8599261 0.78 ALDH1A1 (0.50) ALDH1A1TSHRKMT2ASMN1; SMN2KDM4E
SCHEMBL3956436 0.77 NCF1 (0.51) ALDH1A1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL3272390 0.77 MAPT (0.58) ALDH1A1TSHRKMT2ASMN1; SMN2POLB
SCHEMBL8566513 0.77 CASP6 (0.44) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8569955 0.77 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E
SCHEMBL8565695 0.75 KMT2A (0.42) ALDH1A1KMT2ASMN1; SMN2POLBKDM4E

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