SCHEMBL7397407

SCHEMBL7397407

Cc1cccc(-c2nc(C3CC3)no2)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
POLB P06746 2/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
OPRK1 P41145 5/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
S1PR1 P21453 1/20 0.40
S1PR5 Q9H228 1/20 0.40
USP7 Q93009 2/20 0.40
HTT P42858 1/20 0.40
GAA P10253 2/20 0.39
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
SENP8 Q96LD8 1/20 0.39

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
SCHEMBL7399355 0.81 POLB (0.47) CASP3SENP7SENP6POLBCA1
SCHEMBL7393716 0.80 POLB (0.53) CASP3SENP7SENP6POLBCA1
SCHEMBL18190454 0.77 CASP3 (0.49) CASP3SENP7SENP6POLBCA1
SCHEMBL27436276 0.72 CA1 (0.53) CASP3SENP7SENP6POLBCA1
SCHEMBL15577267 0.72 FABP4 (0.51) CASP3SENP7SENP6POLBCA1
SCHEMBL16864754 0.72 FABP4 (0.49) CASP3SENP7SENP6POLBCA1
SCHEMBL25337057 0.70 CA1 (0.66) CASP3SENP7SENP6POLBCA1
SCHEMBL31375594 0.70 HTT (0.68) CASP3SENP7SENP6POLBCA1
SCHEMBL22347562 0.70 POLB (0.59) CASP3SENP7SENP6POLBCA1
SCHEMBL21939249 0.70 USP7 (0.54) OPRK1USP7HTTKMT2A

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
US-5330990-A Antagonists of 5-HT and 5-HT3 receptors, psychological disorders, antinausea NOVO NORDISK A/S (DK) 1994-07-19 US disclosed
EP-0419397-B1 Substituted urea compounds and their preparation and use NOVO NORDISK AS (DK) 1994-06-08 EP disclosed
EP-0491770-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-01 EP disclosed
EP-0419397-A1 Substituted urea compounds and their preparation and use NOVO NORDISK A/S (DK) 1991-03-27 EP disclosed
WO-1991003475-A1 SUBSTITUTED UREA COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-03-21 WO disclosed