SCHEMBL9863166

SCHEMBL9863166

N#CCNc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
BCHE P06276 1/20 0.45
ACHE P22303 1/20 0.45
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KAT2B Q92831 4/20 0.40
CTSK P43235 1/20 0.40
VCAM1 P19320 1/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
ESPL1 Q14674 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GART P22102 1/20 0.38
HIF1A Q16665 1/20 0.38
HTR6 P50406 1/20 0.36
CTSB P07858 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
SCHEMBL10899064 0.84 LMNA (0.45) LMNABCHEACHEMAPTALDH1A1
SCHEMBL10898029 0.84 LMNA (0.45) LMNABCHEACHEMAPTALDH1A1
SCHEMBL8043013 0.84 MAPK1 (0.41) LMNAMAPTALDH1A1KAT2BMEN1
SCHEMBL23418074 0.80 HCAR3 (0.47) LMNABCHEACHEMAPTALDH1A1
SCHEMBL428455 0.73 HCAR3 (0.53) LMNAMAPTALDH1A1KAT2BGART
SCHEMBL15239774 0.73 HCAR3 (0.54) LMNABCHEACHEMAPTALDH1A1
SCHEMBL10961239 0.72 KMT2A (0.56) MAPTALDH1A1KAT2BMEN1RAB9A
SCHEMBL9428302 0.72 HCAR3 (0.48) LMNABCHEACHEMAPTALDH1A1
SCHEMBL7074757 0.72 MEN1 (0.56) LMNAMAPTALDH1A1MEN1RAB9A
SCHEMBL9863059 0.72 LMNA (0.62) LMNAMAPTALDH1A1MEN1RAB9A

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-0237899-B1 PRODUCTION OF FLUOROANILINE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-11 EP disclosed
US-4803270-A Process of producing fluoroaniline derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-02-07 US disclosed
EP-0237899-A1 Production of fluoroaniline derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-09-23 EP disclosed