SCHEMBL486486

SCHEMBL486486

O=c1ccc2[nH]c(=O)[nH]c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 6/20 0.39
PDE3A Q14432 6/20 0.39
CA12 O43570 4/20 0.38
CA9 Q16790 4/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA13 Q8N1Q1 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
F11 P03951 1/20 0.38
CRBN Q96SW2 1/20 0.37
KDM4E B2RXH2 1/20 0.37
PARP1 P09874 1/20 0.37
ADORA1 P30542 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL16736421 0.72 CA12 (0.55) PDE3BPDE3ACA12CA9CA1
SCHEMBL4664258 0.71 TYMP (0.57) PDE3BPDE3ACA12CA9CA1
SCHEMBL4297133 0.67 CA12 (0.50) PDE3BPDE3ACA12CA9CA1
SCHEMBL4558727 0.64 KDM4E (0.67) PDE3BPDE3ACA12CA9CA1
SCHEMBL37951 0.64 KDM4E (0.67) PDE3BPDE3ACA12CA9CA1
SCHEMBL29367508 0.64 KDM4E (0.67) PDE3BPDE3ACA12CA9CA1
SCHEMBL29401729 0.62 TYRO3 (0.42) PDE3BPDE3ACA12CA9KDM4E
Hydrochloric Acid SCHEMBL30832797 0.61 KDM4E (0.63) PDE3BPDE3ACA12CA9CA1
Hydrochloric Acid SCHEMBL30275219 0.61 KDM4E (0.63) PDE3BPDE3ACA12CA9CA1
Hydrochloric Acid SCHEMBL4647780 0.61 KDM4E (0.63) PDE3BPDE3ACA12CA9CA1

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-2411366-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS Ardea Biosciences, Inc. (US) 2012-02-01 EP disclosed
WO-2010108652-A1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC. (US) 2010-09-30 WO disclosed