SCHEMBL4087876

SCHEMBL4087876

N#Cc1ccc(N2C=CSN2)cc1N1C=CSN1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL4087878 0.80 KDM4E (0.41) ALDH1A1HPGDSMN1; SMN2
SCHEMBL16323431 0.77 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16323432 0.75 P2RX7 (0.31) LMNA
Hydrochloric Acid SCHEMBL13860004 0.65 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL5533938 0.59 TRPV4 (0.34)
SCHEMBL16361383 0.59 LMNA (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL13860011 0.56 TRPV4 (0.41)
SCHEMBL31399295 0.53 TSHR (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL152358 0.53 TSHR (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL9289876 0.52 KDM4E (0.50) ALDH1A1LMNAHPGD

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 4 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-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