SCHEMBL8801677

SCHEMBL8801677

CCCCCNc1nc(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
CRHR1 P34998 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TLR8 Q9NR97 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
KMT2A Q03164 1/20 0.35
HCAR3 P49019 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL9123060 0.96 L3MBTL1 (0.45) L3MBTL1KDM4ENPSR1SMN1; SMN2CRHR1
SCHEMBL9124053 0.88 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2MAPK1HTTCRHR1
SCHEMBL11745155 0.86 L3MBTL1 (0.43) L3MBTL1SMN1; SMN2MAPK1HTTCRHR1
SCHEMBL11751563 0.84 PGK1 (0.46) SMN1; SMN2HTTCRHR1ALDH1A1MAPT
SCHEMBL11680191 0.83 TLR7 (0.43) L3MBTL1KDM4ENPSR1SMN1; SMN2MAPK1
SCHEMBL9122433 0.82 L3MBTL1 (0.45) L3MBTL1SMN1; SMN2ALDH1A1TLR8MAPT
SCHEMBL6245357 0.80 KMT2A (0.48) L3MBTL1SMN1; SMN2MAPK1HTTALDH1A1
SCHEMBL8872372 0.80 TLR8 (0.46) L3MBTL1KDM4ENPSR1SMN1; SMN2MAPK1
SCHEMBL10817412 0.78 L3MBTL1 (0.44) L3MBTL1KDM4ENPSR1SMN1; SMN2MAPK1
SCHEMBL11677186 0.77 L3MBTL1 (0.37) L3MBTL1SMN1; SMN2MAPK1HTTALDH1A1

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-0764166-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1997-03-26 EP disclosed
WO-1995033750-A1 CORTICOTROPIN RELEASING FACTOR ANTAGONISTS PFIZER INC. (US) 1995-12-14 WO disclosed
US-4014677-A HERBICIDES CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed