SCHEMBL18554124

SCHEMBL18554124

Clc1ccc2nc(Oc3cc[c]cc3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALOX12 P18054 1/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 1/20 0.42
APP P05067 2/20 0.40
DYRK1A Q13627 1/20 0.40
FSCN1 Q16658 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 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
SCHEMBL13588690 0.85 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL18612365 0.82 AURKB (0.48) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL8686061 0.82 PPARA (0.45) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL8684173 0.82 PPARA (0.45) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL4246697 0.82 APP (0.56) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL18580309 0.79 LTA4H (0.45) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL4465201 0.78 CYP1A2 (0.60) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21471354 0.78 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL18580753 0.78 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL2002218 0.77 APP (0.47) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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-3340979-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES The Texas A&M University System (US) 2018-07-04 EP disclosed
WO-2017035438-A1 COMPOSITIONS AND METHODS FOR DRUG SENSITIZATION OF PARASITES THE TEXAS A&M UNIVERSITY SYSTEM (US) 2017-03-02 WO disclosed