SCHEMBL2371613

SCHEMBL2371613

COc1cccc(NOC(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
POLB P06746 1/20 0.50
KCNH3 Q9ULD8 1/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
NLRP3 Q96P20 1/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 2/20 0.48
MTNR1B P49286 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.46
LMNA P02545 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
SCHEMBL13724563 0.84 KMT2A (0.49) KMT2AMEN1MAPTMAPK1RXFP1
SCHEMBL1122234 0.80 KMT2A (0.56) KMT2AMEN1MAPTMAPK1RXFP1
SCHEMBL631776 0.77 KCNH3 (0.64) KMT2AMEN1MAPTMAPK1RXFP1
SCHEMBL28520010 0.76 RAB9A (0.54) KMT2AMEN1MAPTMAPK1KCNH3
SCHEMBL8326648 0.76 KMT2A (0.60) KMT2AMEN1MAPTMAPK1RXFP1
SCHEMBL1085867 0.76 MEN1 (0.71) KMT2AMEN1MAPTMAPK1RXFP1
Hydrochloric Acid SCHEMBL2249099 0.76 KCNH3 (0.67) KMT2AMEN1MAPTMAPK1RXFP1
Bromide SCHEMBL20984930 0.75 ALDH1A1 (0.57) KMT2AMEN1MAPTMAPK1RXFP1
SCHEMBL10436614 0.74 ALDH1A1 (0.53) KMT2AMEN1MAPTMAPK1RXFP1
SCHEMBL28885886 0.74 KCNH3 (0.53) KMT2AMEN1MAPTMAPK1RXFP1

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
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed