SCHEMBL9507140

SCHEMBL9507140

O=S(=O)(O)c1ccc2ccccc2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 1/20 0.48
WDR5 P61964 1/20 0.46
MPL P40238 4/20 0.43
CTRC Q99895 2/20 0.43
RCE1 Q9Y256 1/20 0.42
GPR84 Q9NQS5 2/20 0.41
DNMT1 P26358 1/20 0.41
CYP2D6 P10635 1/20 0.41
TTR P02766 1/20 0.41
FABP4 P15090 1/20 0.41
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NR4A1 P22736 1/20 0.40
ALOX5 P09917 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL29972292 0.89 CTRB1 (0.53) CTRB1WDR5MPLCTRCGPR84
SCHEMBL2785876 0.89 CTRB1 (0.53) CTRB1WDR5MPLCTRCGPR84
SCHEMBL28723636 0.88 CTRB1 (0.48) CTRB1WDR5MPLCTRCGPR84
Ammonia Solution, Strong SCHEMBL3630747 0.87 CTRB1 (0.51) CTRB1WDR5MPLCTRCGPR84
SCHEMBL28673626 0.87 GPR84 (0.45) CTRB1WDR5MPLCTRCGPR84
SCHEMBL29002787 0.85 GPR84 (0.47) CTRB1WDR5MPLCTRCGPR84
SCHEMBL28260077 0.82 CA1 (0.56) WDR5DNMT1CA1CA2CA9
SCHEMBL29740512 0.81 DNMT1 (0.47) CTRB1WDR5MPLCTRCGPR84
SCHEMBL28929540 0.81 MPL (0.52) CTRB1MPLCTRCMEN1KMT2A
SCHEMBL7037617 0.80 ERN1 (0.46) CTRB1MPLCTRCKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0287121-B1 HEAT AND LIGHT-SENSITIVE RECORDING MATERIAL AND RECORDING METHOD JUJO PAPER CO., LTD. (JP) 1993-08-04 EP disclosed
US-4853361-A FLUORAN-TYPE LEUCO DYES JUJO PAPER CO., LTD. (JP) 1989-08-01 US disclosed