SCHEMBL8561607

SCHEMBL8561607

O=[N+]([O-])c1cc(OCc2ccccc2)c2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
STAT3 P40763 1/20 0.46
ELANE P08246 1/20 0.45
PIN1 Q13526 2/20 0.44
MGMT P16455 1/20 0.44
POLB P06746 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL8564150 0.81 NCF1 (0.47) MAPTHTTSMN1; SMN2NPC1LMNA
Quinoline SCHEMBL27547243 0.81 MAPT (0.39) MAPTHTTSMN1; SMN2NPC1LMNA
SCHEMBL8597322 0.80 NCF1 (0.48) MAPTHTTSMN1; SMN2NPC1LMNA
SCHEMBL8566984 0.77 CA1 (0.39) MAPTHTTSMN1; SMN2NPC1LMNA
SCHEMBL8562778 0.77 RIPK1 (0.47) MAPTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL8567516 0.76 AGTR1 (0.48) MAPTLMNARAB9AHPGDKMT2A
SCHEMBL4272791 0.76 SMN1; SMN2 (0.53) MAPTHTTSMN1; SMN2NPC1RAB9A
SCHEMBL5732599 0.76 MAPT (0.53) MAPTHTTSMN1; SMN2NPC1LMNA
SCHEMBL8566013 0.76 C1R (0.41) MAPTHTTSMN1; SMN2RAB9ANPSR1
SCHEMBL8564430 0.76 KMT2A (0.40) MAPTHTTSMN1; SMN2NPC1RAB9A

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