SCHEMBL5231069

SCHEMBL5231069

Cn1c(-c2ccc(Cl)cc2)c(C2CCCCC2)c2sc(OC(=O)O)c(CN3CCCC3)c21

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TACR1 P25103 3/20 0.35
HRH3 Q9Y5N1 3/20 0.35
MCHR1 Q99705 3/20 0.34
CNR1 P21554 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TRPV4 Q9HBA0 1/20 0.34
CHRM1 P11229 1/20 0.33
HTR2A P28223 1/20 0.33
NPY1R P25929 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
SCHEMBL5233254 0.95 TACR1 (0.36) LSSMEN1KMT2ATACR1CNR1
SCHEMBL5227454 0.91 ALDH1A1 (0.34) MEN1KMT2ATACR1MCHR1CNR1
SCHEMBL5230079 0.90 MMP2 (0.35) TACR1CNR1TRPV4HTR2A
SCHEMBL3001005 0.87 MEN1 (0.36) MEN1KMT2ATACR1HRH3MCHR1
SCHEMBL5229977 0.86 CNR1 (0.36) LSSTACR1HRH3CNR1ALDH1A1
SCHEMBL5237010 0.83 EGFR (0.39) KMT2ATACR1KDM4EALDH1A1MAPK1
SCHEMBL2998567 0.82 TACR1 (0.37) MEN1KMT2ATACR1CNR1ALDH1A1
SCHEMBL5234741 0.81 CNR1 (0.34) CNR1KDM4EALDH1A1
SCHEMBL5230751 0.80 EGFR (0.38) KMT2ATACR1POLBMAPK1
SCHEMBL2997420 0.79 MEN1 (0.36) MEN1KMT2ATACR1MCHR1CNR1

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
EP-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed