SCHEMBL4087878

SCHEMBL4087878

N#Cc1ccccc1N1C=CSN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
HIF1A Q16665 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.33
DRD4 P21917 3/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 2/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MCL1 Q07820 1/20 0.31
GRM5 P41594 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30
IMPDH2 P12268 1/20 0.30
IMPDH1 P20839 1/20 0.30

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
SCHEMBL4087876 0.80 ALDH1A1 (0.32) SMN1; SMN2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL13860004 0.76 SMN1; SMN2 (0.31) SMN1; SMN2HIF1A
SCHEMBL16323431 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1423112 0.69 KDM4E (0.41) KDM4ESMN1; SMN2HIF1AKMT2ATSHR
SCHEMBL24105327 0.66 KDM4E (0.41) KDM4ESMN1; SMN2HIF1AKMT2ATSHR
SCHEMBL3088832 0.65 DRD4 (0.54) KDM4ESMN1; SMN2KMT2AMAPTDRD4
SCHEMBL840625 0.63 MAPT (0.59) KDM4ESMN1; SMN2HIF1AKMT2ATSHR
SCHEMBL30936310 0.63 DRD4 (0.45) KDM4ESMN1; SMN2HIF1ATSHRDRD4
SCHEMBL829177 0.62 AR (0.65) KDM4ESMN1; SMN2MAPTDRD4ALDH1A1
SCHEMBL30406641 0.62 AR (0.59) KDM4EMAPTDRD4ALDH1A1DRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054410-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS Wyeth (US) 2009-05-06 EP claimed
WO-2008021331-A2 OXAZOLIDONE DERIVATIVES AS PR MODULATORS WYETH (US) 2008-02-21 WO claimed
EP-2970131-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-01-20 EP disclosed
WO-2014153100-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-09-25 WO disclosed
EP-2726470-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES reMynd NV (BE) 2014-05-07 EP disclosed
WO-2013004642-A1 1, 2, 4 -THIADIAZOL- 5 -YLPIPERAZINE DERIVATIVES USEFUL IN THE TREATMENT NEURODEGENERATIVE DISEASES REMYND NV (BE) 2013-01-10 WO disclosed