SCHEMBL7787944

SCHEMBL7787944

CCC(N)C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.57
CTNNB1 P35222 1/20 0.57
GAA P10253 1/20 0.53
MGLL Q99685 2/20 0.51
HTR2A P28223 1/20 0.50
KMT2A Q03164 3/20 0.49
PKM P14618 1/20 0.49
MAPT P10636 3/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA1 P00915 1/20 0.45

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
SCHEMBL28323255 0.86 BCL9 (0.51) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL11221524 0.85 BCL9 (0.51) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL11221520 0.85 BCL9 (0.51) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL9068344 0.85 BCL9 (0.50) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL13629555 0.84 BCL9 (0.60) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL6707349 0.84 BCL9 (0.49) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL11796565 0.84 BCL9 (0.49) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL10335399 0.84 BCL9 (0.49) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL10024490 0.83 BCL9 (0.59) BCL9CTNNB1GAAMGLLHTR2A
SCHEMBL515913 0.83 GAA (0.57) BCL9CTNNB1GAAMGLLHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147076-A1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES Amersham Pharmacia Biotech K.K. (JP) 2001-10-24 EP disclosed
WO-2000043355-A1 ACRYLAMIDE DERIVATIVES AND POLYMERS CONTAINING SAID DERIVATIVES AMERSHAM PHARMACIA BIOTECH K.K. (JP) 2000-07-27 WO disclosed