SCHEMBL17844230

SCHEMBL17844230

CC(C)(C)n1sc(-c2ccccc2)c(NCCCOc2cccc(Cl)c2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
KCNH2 Q12809 1/20 0.38
KLKB1 P03952 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALPG P10696 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HRH2 P25021 1/20 0.35

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
SCHEMBL17844212 0.90 MTNR1A (0.42) DRD2DRD4KMT2AKDM4EPOLB
SCHEMBL17844232 0.90 DRD2 (0.44) DRD2DRD4KDM4EGPR84HRH2
SCHEMBL17844178 0.89 DRD4 (0.43) DRD2DRD4KMT2AMAPTKDM4E
SCHEMBL5186747 0.89 PTPN2 (0.37) DRD2DRD4GPR84POLBNPC1
SCHEMBL17844169 0.88 SCN9A (0.36) DRD2DRD4KMT2AKDM4EGPR84
SCHEMBL17844247 0.86 HTR1B (0.39) DRD2DRD4KMT2AMAPTKDM4E
SCHEMBL17844223 0.86 DRD2 (0.41) DRD2DRD4KMT2AMAPTGPR84
SCHEMBL17844151 0.83 PIM1 (0.39) KDM4E
SCHEMBL17844180 0.83 KDM4E (0.37) KMT2AMAPTKDM4EPOLBRXFP1
SCHEMBL17844246 0.83 HCRTR1 (0.39) DRD2DRD4KMT2AKDM4EPOLB

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-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed