SCHEMBL9224580

SCHEMBL9224580

O=P(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1c(S(=O)(=O)C(F)(F)F)ccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
WDR5 P61964 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32
CASP6 P55212 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
CES1 P23141 2/20 0.31
DNMT1 P26358 1/20 0.31
PTPRC P08575 1/20 0.31
RORA P35398 1/20 0.30
RORC P51449 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H4 Q96RI1 1/20 0.30
HSP90AA1 P07900 2/20 0.30
HSP90AB1 P08238 2/20 0.30

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
SCHEMBL3670166 0.83 DNMT1 (0.42) WDR5CES1DNMT1RORARORC
SCHEMBL132989 0.82 WDR5 (0.44) NPSR1WDR5POLBCES1DNMT1
SCHEMBL29382484 0.82 WDR5 (0.44) NPSR1WDR5POLBCES1DNMT1
SCHEMBL7029202 0.80 MAPT (0.37) WDR5POLBAPOBEC3ACASP6KMT2A
SCHEMBL29559059 0.80 MAPT (0.37) WDR5POLBAPOBEC3ACASP6KMT2A
SCHEMBL7636752 0.75 NSD2 (0.43) KMT2AHSP90AA1HSP90AB1
SCHEMBL4403131 0.74 MAPT (0.43) NPSR1WDR5POLBKMT2ACTDSP1
SCHEMBL7025867 0.74 KMT2A (0.42) NPSR1WDR5POLBAPOBEC3ACASP6
SCHEMBL12336891 0.74 MAPT (0.43) NPSR1WDR5POLBKMT2ACTDSP1
SCHEMBL6053369 0.74 WDR5 (0.38) NPSR1WDR5POLBCES1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0503884-B1 Optically active diphenylphosphino-binaphtyl compounds and catalytic transition metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-07-26 EP disclosed
US-5231202-A OPTICALLY ACTIVE TERTIARY PHOSPHINE COMPOUND AND TRANSITION METAL COMPLEX USING THE SAME AS LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-07-27 US disclosed
EP-0503884-A1 Optically active diphenylphosphino-binaphtyl compounds and catalytic transition metal complexes thereof Takasago International Corporation (JP) 1992-09-16 EP disclosed