SCHEMBL20733385

SCHEMBL20733385

O=C(C1CC1)N1CCCc2ccc(NSc3ccccc3)cc21

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.69
NPC1 O15118 1/20 0.69
OGG1 O15527 5/20 0.58
BRD4 O60885 1/20 0.57
ATAD2 Q6PL18 1/20 0.57
POLB P06746 1/20 0.53
TSHR P16473 3/20 0.48
SYK P43405 1/20 0.45
CREBBP Q92793 2/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20733336 0.80 RAB9A (0.69) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL22104625 0.79 OGG1 (0.83) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL22104615 0.78 RAB9A (0.66) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL20733380 0.77 OGG1 (0.67) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL22104700 0.76 OGG1 (0.83) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL22104686 0.74 OGG1 (1.00) RAB9ANPC1OGG1LMNAHTT
SCHEMBL22104699 0.73 OGG1 (0.77) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL16771416 0.73 BRD4 (1.00) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL17117541 0.73 BRD4 (0.71) RAB9ANPC1OGG1BRD4ATAD2
SCHEMBL22104657 0.71 OGG1 (0.74) RAB9ANPC1OGG1BRD4ATAD2

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