SCHEMBL11409082

SCHEMBL11409082

N#CSc1cccc2cccc(Cl)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.42
RXFP1 Q9HBX9 2/20 0.42
MYC P01106 1/20 0.36
WDR5 P61964 1/20 0.36
MAPT P10636 4/20 0.35
HPGD P15428 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2A6 P11509 1/20 0.34
USP2 O75604 1/20 0.34
USP8 P40818 1/20 0.34
USP5 P45974 1/20 0.34
USP4 Q13107 1/20 0.34
USP7 Q93009 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
SCHEMBL14257352 0.78 TSHR (0.38) MYCWDR5MAPTMEN1KMT2A
SCHEMBL6245177 0.77 TSHR (0.41) MYCWDR5MEN1KMT2AALDH1A1
SCHEMBL10815800 0.77 RXFP1 (0.44) POLBRXFP1MAPTHPGDTDP1
SCHEMBL11408750 0.77 CA1 (0.39) POLBMAPTHPGDTDP1KDM4E
SCHEMBL4214937 0.73 RXFP1 (0.39) POLBRXFP1MAPTHPGDTDP1
SCHEMBL31490972 0.72 IDO1 (0.49) MYCWDR5PSMB8GAA
SCHEMBL29620230 0.71 TSHR (0.53) POLBRXFP1MAPTHPGDTDP1
SCHEMBL29620231 0.71 TSHR (0.53) POLBRXFP1MAPTHPGDTDP1
SCHEMBL4103602 0.71 TSHR (0.53) POLBRXFP1MAPTHPGDTDP1
Phosphine SCHEMBL20918242 0.70 CYP1A2 (0.40) MAPTHPGDTDP1MEN1KMT2A

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-4237019-A PROTECTING AQUEOUS MEDIUM SUCH AS WATER BASED PAINTS OR METAL WORKING FLUIDS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-12-02 US disclosed