SCHEMBL7687864

SCHEMBL7687864

CC(C)[S+]([O-])c1cnc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
NPSR1 Q6W5P4 4/20 0.36
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MAPT P10636 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
SCHEMBL7683416 0.79 ALDH1A1 (0.39) ALDH1A1NPSR1MAPT
SCHEMBL7681097 0.74 ALDH1A1 (0.39) ALDH1A1NPSR1MAPT
SCHEMBL12957941 0.72
SCHEMBL13748764 0.72
SCHEMBL23833537 0.72 SMN1; SMN2 (0.42) CHRNB2CHRNA4MAPT
SCHEMBL20384389 0.68 TSHR (0.37) ALDH1A1NPSR1MAPT
SCHEMBL17069260 0.67 TSHR (0.38)
SCHEMBL10028338 0.66 ALDH1A1 (0.41) ALDH1A1NPSR1MAPT
SCHEMBL15035944 0.66 KMT2A (0.31)
SCHEMBL16174390 0.65 ADRA2A (0.32)

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
US-6448205-B1 FOR THE DESICCATION AND/OR DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed