SCHEMBL8628697

SCHEMBL8628697

C/C(=C\c1ccccn1)[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.56
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 3/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MITF O75030 2/20 0.42
LMNA P02545 2/20 0.42
JAK2 O60674 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
NTSR1 P30989 1/20 0.42
CYP2C19 P33261 1/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
ABL2 P42684 1/20 0.42

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
SCHEMBL8628699 1.00 FBP1 (0.56) FBP1TDP1RAB9AMEN1KMT2A
SCHEMBL11369349 0.82 TDP1 (0.44) FBP1TDP1RAB9AMEN1KMT2A
SCHEMBL8627432 0.76 MAPT (0.53) FBP1RAB9AMEN1KMT2ANPC1
SCHEMBL8627431 0.76 MAPT (0.53) FBP1RAB9AMEN1KMT2ANPC1
SCHEMBL11319191 0.75 NPC1 (0.44) TDP1RAB9ANPC1MAPTALDH1A1
SCHEMBL11319184 0.75 NPC1 (0.44) TDP1RAB9ANPC1MAPTALDH1A1
SCHEMBL453989 0.75 TDP1 (0.59) TDP1RAB9AMEN1KMT2ANPC1
SCHEMBL2752341 0.75 AKR1C3 (0.55) TDP1RAB9AMEN1KMT2ANPC1
SCHEMBL2752344 0.75 AKR1C3 (0.55) TDP1RAB9AMEN1KMT2ANPC1
SCHEMBL4492605 0.75 FBP1 (0.46) FBP1RAB9AMEN1KMT2ANPC1

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