SCHEMBL5403949

SCHEMBL5403949

O=C1CSC(C=Cc2ccccc2)N1CCC1CCCCN1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.38
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
ADRA1B P35368 1/20 0.36
KCNH2 Q12809 1/20 0.36
LTA4H P09960 7/20 0.36
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
CAMK2D Q13557 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL5394438 0.82 KMT2A (0.39) KMT2APOLBCACNA2D1CACNA1BCACNB1
SCHEMBL5417237 0.79 KMT2A (0.44) KMT2APOLBCYP2C9CYP2C19
SCHEMBL5403953 0.78 NPSR1 (0.52) LTA4H
SCHEMBL5403944 0.78 NPSR1 (0.52) LTA4H
SCHEMBL5398650 0.74 KMT2A (0.40) KMT2APOLBCACNA2D1CACNA1BCACNB1
SCHEMBL5414432 0.73 KMT2A (0.35) KMT2APOLBHTR1AHTR1DHTR2A
SCHEMBL5404020 0.73 LTA4H (0.44) KMT2APOLBCACNA1BLTA4H
SCHEMBL5403956 0.72 SLC6A3 (0.38)
SCHEMBL5403560 0.72 CYP1A2 (0.42) KMT2ACACNA1BCYP1A2CYP3A4CYP2D6
SCHEMBL5394447 0.71 KMT2A (0.33) KMT2APOLBPRKACAPRKACGPRKACB

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-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US claimed