SCHEMBL8600860

SCHEMBL8600860

C=CCSc1c([N+](=O)[O-])c(N)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 2/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40
MGMT P16455 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8597358 0.82 DHFR (0.41) DHFRLMNAL3MBTL1MAPTCYP1A2
SCHEMBL8560428 0.82 MEN1 (0.47) LMNAL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL8601762 0.80 TDP1 (0.43) DHFRLMNAL3MBTL1MAPTCYP1A2
SCHEMBL8597355 0.78 TLR8 (0.44) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL8599452 0.78 MAPT (0.43) LMNAMAPTSMN1; SMN2CYP3A4MGMT
SCHEMBL11128635 0.76 MEN1 (0.50) LMNAL3MBTL1MAPTCYP1A2CYP2C9
SCHEMBL8596169 0.75 MAPT (0.41) LMNAMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8600230 0.75 GSK3A (0.48) LMNAMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL8567950 0.75 CYP3A4 (0.47) LMNAMAPTSMN1; SMN2CYP3A4RAB9A
SCHEMBL8599760 0.74 POLB (0.41) DHFRLMNAL3MBTL1MAPTCYP1A2

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