SCHEMBL8627432

SCHEMBL8627432

CC(=Cc1ccc2ccccc2n1)[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
LMNA P02545 7/20 0.53
HTT P42858 4/20 0.53
KDM4E B2RXH2 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
FBP1 P09467 1/20 0.51
RAB9A P51151 9/20 0.50
NPC1 O15118 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
MAPK1 P28482 1/20 0.50
TP53 P04637 1/20 0.45
ALDH1A1 P00352 6/20 0.45
GAA P10253 2/20 0.45
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 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
SCHEMBL8627431 1.00 MAPT (0.53) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL3530470 0.78 KDM4E (0.59) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL3529280 0.78 KDM4E (0.59) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL3529276 0.78 KDM4E (0.59) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL25753399 0.76 RAB9A (0.58) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL1980663 0.76 RAB9A (0.58) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL1081956 0.76 RAB9A (0.58) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8628699 0.76 FBP1 (0.56) MAPTLMNAHTTKDM4ECYP1A2
SCHEMBL8628697 0.76 FBP1 (0.56) MAPTLMNAHTTKDM4ECYP1A2
SCHEMBL27494494 0.76 KDM4E (0.57) MAPTSMN1; SMN2LMNAHTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672646-B1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL CO (JP) 1998-06-10 EP disclosed
US-5639895-A Process for producing β-nitroenamine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-06-17 US disclosed
US-5597940-A REACTING NITROOLEFIN WITH HYDROXYLAMINE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-01-28 US disclosed
EP-0672646-A1 Process for producing beta-nitro-enamines and intermediates thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-09-20 EP disclosed