SCHEMBL8561452

SCHEMBL8561452

O=[N+]([O-])c1cnc2ccccc2c1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PRKCQ Q04759 1/20 0.39
HTR2C P28335 2/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
HTR2A P28223 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVR1B P36896 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 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
SCHEMBL8562365 0.75 ACHE (0.40) CYP2C9HTR2CCYP1A2TSHRHTR2A
SCHEMBL8597133 0.74 HTR2A (0.39) CYP3A4HTR2CCYP1A2HTR2AKCNH2
SCHEMBL8567840 0.74 POLB (0.47) POLBTSHRMAPTMEN1KMT2A
SCHEMBL13607109 0.72 PTGES (0.38) POLBTSHRMAPTMEN1KMT2A
SCHEMBL8561101 0.70 POLB (0.53) POLBCYP3A4CYP1A2TSHRMAPT
SCHEMBL4465119 0.70 HRH1 (0.41) CYP3A4CYP2C9PRKCQMAPTMAPK1
SCHEMBL202663 0.69 POLB (0.51) POLBCYP1A2TSHRMAPTMEN1
SCHEMBL1033969 0.69 POLB (0.51) POLBHTR2CKCNH2MAPTMEN1
SCHEMBL4727431 0.69 POLB (0.51) POLBCYP1A2TSHRMAPTMEN1
SCHEMBL15824026 0.69 POLB (0.51) POLBCYP3A4CYP1A2TSHRMAPT

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