SCHEMBL8877124

SCHEMBL8877124

NC(=O)c1n[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 2/20 0.55
LTA4H P09960 2/20 0.53
PLA2G2A P14555 2/20 0.53
MEN1 O00255 1/20 0.53
HSP90AA1 P07900 1/20 0.53
HSP90AB1 P08238 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP10 Q53GL7 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
GSK3B P49841 1/20 0.49
NSD2 O96028 1/20 0.49
AS3MT Q9HBK9 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
SRD5A2 P31213 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL492695 0.90 HAO1 (0.60) TTKLTA4HPLA2G2AMEN1HSP90AA1
SCHEMBL12479877 0.88 MAOB (0.53) TTKLTA4HPLA2G2AMEN1HSP90AA1
SCHEMBL627903 0.84 TTK (0.59) TTKLTA4HPLA2G2APLAUPLAT
SCHEMBL17782603 0.83 TTK (0.49) TTKLTA4HPLA2G2AMEN1HSP90AA1
SCHEMBL492124 0.83 GABRA1 (0.63) TTKMEN1HSP90AA1KMT2AGSK3B
SCHEMBL6600100 0.82 GABRA1 (0.61) TTKLTA4HPLA2G2AMEN1HSP90AA1
SCHEMBL12480296 0.82 GSK3B (0.49) TTKLTA4HPLA2G2AMEN1HSP90AA1
SCHEMBL5988579 0.80 TTK (0.53) TTKLTA4HPLA2G2AMEN1HSP90AA1
SCHEMBL492399 0.80 ALDH1A1 (0.56) TTKMEN1KMT2AGSK3BKDM4E
Tert-Butyl Formate SCHEMBL28002279 0.79 GSK3B (0.46) TTKLTA4HPLA2G2AMEN1HSP90AA1

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
US-5684003-A GASTROINTESTINAL DISORDERS OR ANTIULCER AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-11-04 US disclosed