SCHEMBL8599760

SCHEMBL8599760

C=CCSc1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.38
DHFR P00374 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 3/20 0.37
GAA P10253 1/20 0.37
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NCOA1 Q15788 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
SCHEMBL10332242 0.82 POLB (0.44) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8565327 0.80 MEN1 (0.52) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8601694 0.77 ALDH1A1 (0.42) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8603033 0.77 CYP1A2 (0.47) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8597358 0.74 DHFR (0.41) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8600860 0.74 DHFR (0.41) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8598975 0.74 POLB (0.41) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL5452427 0.74 MAPT (0.48) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8597485 0.74 DHFR (0.45) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8598588 0.73 POLB (0.40) POLBKMT2AMEN1ALDH1A1MAPT

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