SCHEMBL8328386

SCHEMBL8328386

O=C1NCc2ccc3c(c2CN1)NC(=O)C3=NO

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8329643 0.80 CES1 (0.42) CA12CA9
SCHEMBL8329120 0.79 CD44 (0.36)
SCHEMBL8329118 0.79 CD44 (0.36)
SCHEMBL29516561 0.77 PARP1 (0.46)
SCHEMBL8329608 0.75
SCHEMBL8330434 0.75 PARP1 (0.33)
SCHEMBL8330432 0.75 PARP1 (0.33)
SCHEMBL8329604 0.75
SCHEMBL8328965 0.73 ALDH1A1 (0.30)
SCHEMBL8326512 0.72 HSP90AA1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0529636-B1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH AS (DK) 1999-06-23 EP disclosed
US-5436250-A Isatineoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1995-07-25 US disclosed
US-5242918-A Isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-09-07 US disclosed
WO-1993005043-A1 NOVEL ISATINOXIME DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 1993-03-18 WO disclosed
EP-0529636-A1 Novel isatinoxime derivatives, their preparation and use NEUROSEARCH A/S (DK) 1993-03-03 EP disclosed