SCHEMBL20733380

SCHEMBL20733380

CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 6/20 0.67
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
BRD4 O60885 1/20 0.62
ATAD2 Q6PL18 1/20 0.62
NR3C1 P04150 4/20 0.56
TP53 P04637 4/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL4711742 0.87 OGG1 (0.53) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL4711743 0.87 OGG1 (0.53) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL22104625 0.85 OGG1 (0.83) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL20733336 0.84 RAB9A (0.69) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL22104718 0.83 OGG1 (0.74) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL22104699 0.83 OGG1 (0.77) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL22104657 0.83 OGG1 (0.74) OGG1RAB9ANPC1BRD4ATAD2
SCHEMBL22104716 0.83 OGG1 (0.78) OGG1RAB9ANPC1NR3C1TP53
SCHEMBL22104712 0.83 OGG1 (0.75) OGG1RAB9ANPC1NR3C1TP53
SCHEMBL22104700 0.82 OGG1 (0.83) OGG1RAB9ANPC1BRD4ATAD2

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-2019032563-A1 INHIBITORS OF BASE EXCISION REPAIR ACTIVITY AND THERAPEUTIC METHODS BASED THEREON THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-14 WO disclosed