SCHEMBL8097768

SCHEMBL8097768

CCNc1ccc([N+](=O)[O-])c(NCC)c1F

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 2/20 0.49
LMNA P02545 1/20 0.47
MAPT P10636 6/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.39
NSD2 O96028 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
PGK1 P00558 1/20 0.36
KAT2B Q92831 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
SCHEMBL8088800 0.91 HCAR3 (0.47) HCAR3LMNAMAPTL3MBTL1MAPK1
SCHEMBL28995916 0.85 MAPT (0.42) HCAR3LMNAMAPTL3MBTL1MAPK1
SCHEMBL8103843 0.78 RAB9A (0.64) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL6118560 0.75 TDP1 (0.52) HCAR3LMNAMAPTL3MBTL1ALDH1A1
SCHEMBL4090213 0.75 HCAR3 (0.61) HCAR3LMNAMAPTL3MBTL1MAPK1
SCHEMBL31481963 0.75 MAPT (0.57) HCAR3LMNAMAPTL3MBTL1MAPK1
SCHEMBL3512219 0.75 MAPT (0.57) HCAR3LMNAMAPTL3MBTL1MAPK1
SCHEMBL3450046 0.75 TDP1 (0.44) HCAR3LMNAMAPTL3MBTL1MAPK1
SCHEMBL8095455 0.75 HCAR3 (0.45) HCAR3LMNAMAPTMAPK1ALDH1A1
SCHEMBL28995911 0.73 MAPT (0.41) HCAR3LMNAMAPTL3MBTL1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed