SCHEMBL11501433

SCHEMBL11501433

CCCCCOc1ccc2cc(C#N)c(=O)oc2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.77
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
MAOB P27338 11/20 0.60
MAOA P21397 9/20 0.60
CA12 O43570 3/20 0.58
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA7 P43166 3/20 0.58
CA5B Q9Y2D0 3/20 0.58
CA9 Q16790 3/20 0.58
CA4 P22748 2/20 0.58
CA6 P23280 2/20 0.58
CA14 Q9ULX7 2/20 0.58
CA3 P07451 1/20 0.58
CA5A P35218 2/20 0.56
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
MIF P14174 1/20 0.52
NPC1 O15118 1/20 0.48

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
SCHEMBL11149402 0.92 GLA (0.81) GLAMEN1KMT2AMAOBMAOA
SCHEMBL1104935 0.91 GLA (0.67) GLAMEN1KMT2AMAOBMAOA
SCHEMBL240958 0.87 GLA (1.00) GLAMEN1KMT2AMAOBMAOA
SCHEMBL11132727 0.86 GLA (0.58) GLAMEN1KMT2AMAOBMAOA
SCHEMBL10687834 0.83 GLA (0.63) GLAMEN1KMT2AMAOBMAOA
SCHEMBL10684373 0.83 GLA (0.63) GLAMEN1KMT2AMAOBMAOA
SCHEMBL385923 0.82 GLA (0.81) GLAMEN1KMT2AMAOBMAOA
SCHEMBL8834661 0.82 GLA (0.69) GLAMEN1KMT2AMAOBMAOA
SCHEMBL1104929 0.82 GLA (0.76) GLAMEN1KMT2AMAOBMAOA
SCHEMBL1094715 0.80 GLA (1.00) GLAMEN1KMT2AMAOBMAOA

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-4196128-A Process for the preparation of 3-cyanochromones WARNER-LAMBERT COMPANY (US) 1980-04-01 US disclosed