SCHEMBL20173340

SCHEMBL20173340

Cc1cc2sc3c(sc4c5sc6cc(C)sc6c5sc34)c2s1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GPR35 Q9HC97 2/20 0.33
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12775254 1.00 PKM (0.47) PKMNPSR1RXFP1GPR35ALDH1A1
SCHEMBL12775257 0.97 PKM (0.48) PKMNPSR1RXFP1GPR35ALDH1A1
SCHEMBL120586 0.88 PKM (0.50) PKMNPSR1RXFP1GPR35ALDH1A1
SCHEMBL20288333 0.85 PKM (0.41) PKMNPSR1RXFP1GPR35
SCHEMBL21515261 0.84 PKM (0.40) PKMNPSR1RXFP1
SCHEMBL18950178 0.83 GPR35 (0.56) PKMNPSR1RXFP1GPR35
SCHEMBL17538618 0.83 PKM (0.37) PKMNPSR1RXFP1GPR35
SCHEMBL12211706 0.81 PKM (0.45) PKMNPSR1RXFP1ALDH1A1
SCHEMBL13560796 0.80 PKM (0.38) PKMNPSR1RXFP1GPR35
SCHEMBL12797436 0.80 PKM (0.38) PKMNPSR1RXFP1

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-20180145259-A1 ORGANIC SEMICONDUCTOR ELEMENT, COMPOUND, ORGANIC SEMICONDUCTOR COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM FUJIFILM CORPORATION (JP) 2018-05-24 US disclosed