SCHEMBL8569251

SCHEMBL8569251

COC/C=C/c1c([N+](=O)[O-])cnc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
HTT P42858 3/20 0.37
ERN1 O75460 1/20 0.37
CYP1A2 P05177 1/20 0.36
TSHR P16473 1/20 0.36
PIN1 Q13526 2/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
KDR P35968 1/20 0.35
LMNA P02545 1/20 0.35
NCOA1 Q15788 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35

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
SCHEMBL8569255 1.00 POLB (0.40) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8567079 0.80 POLB (0.46) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8567076 0.80 POLB (0.46) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8562157 0.78 POLB (0.44) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8566398 0.78 POLB (0.38) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8566394 0.78 POLB (0.38) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8564990 0.76 MGMT (0.39) POLBSMN1; SMN2HTTKMT2AMEN1
SCHEMBL8564994 0.76 MGMT (0.39) POLBSMN1; SMN2HTTKMT2AMEN1
SCHEMBL8567732 0.75 MAPT (0.45) POLBRAB9ASMN1; SMN2NPC1HTT
SCHEMBL8567734 0.75 MAPT (0.45) POLBRAB9ASMN1; SMN2NPC1HTT

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