SCHEMBL17844226

SCHEMBL17844226

Cc1n[nH]c(C)c1CCNc1c(-c2ccccc2)sn(C(C)C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 6/20 0.34
HSD17B10 Q99714 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 3/20 0.34
TSHR P16473 2/20 0.34
RECQL P46063 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 3/20 0.34
TTR P02766 2/20 0.33
CHEK1 O14757 1/20 0.33
AKT2 P31751 1/20 0.33
MEN1 O00255 2/20 0.33
BRD4 O60885 1/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5197239 0.78 GSK3B (0.43) KDM4ESMN1; SMN2MAPTLMNAHTT
SCHEMBL5185824 0.75 NPBWR1 (0.43) KDM4ESMN1; SMN2HSD17B10MAPTLMNA
SCHEMBL5185609 0.75 ALDH1A1 (0.43) SMN1; SMN2MAPTHTTKMT2AMEN1
SCHEMBL17844146 0.73 HTR1B (0.39) SMN1; SMN2MAPTLMNA
SCHEMBL3541635 0.71 MAPT (0.49) MAPK1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL2001283 0.71 KDM4E (0.37) MAPK1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL17844238 0.69 SMN1; SMN2 (0.43) MAPK1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL4973142 0.63 MAPK1 (0.42) MAPK1KDM4ESMN1; SMN2HSD17B10MAPT
SCHEMBL17844229 0.62 MEN1 (0.48) MAPK1KDM4ESMN1; SMN2MAPTLMNA
SCHEMBL17844241 0.62 MAPK10 (0.42) MAPK1MAPTHTTGAAKMT2A

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