SCHEMBL28653544

SCHEMBL28653544

CCCCCC#CC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.56
BCL9 O00512 1/20 0.55
CTNNB1 P35222 1/20 0.55
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 6/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
FAAH O00519 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL28664532 0.85 BCL9 (0.57) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL7981288 0.80 BCL9 (0.64) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL24345826 0.80 ALDH1A1 (0.50) MGLLSMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL4988861 0.77 GAA (0.57) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL1400174 0.76 BCL9 (0.80) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL1916980 0.75 BCL9 (0.78) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL135634 0.75 BCL9 (0.78) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL22531036 0.75 BCL9 (0.78) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL7754480 0.75 BCL9 (0.78) MGLLBCL9CTNNB1GAASMN1; SMN2
SCHEMBL13184389 0.75 BCL9 (0.78) MGLLBCL9CTNNB1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110156800-B Synthesis method of pyrano [3,2-b ] indole-2-ketone compound 中国药科大学 2021-11-26 CN disclosed