SCHEMBL7212915

SCHEMBL7212915

O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1OP

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 3/20 0.38
ABHD6 Q9BV23 1/20 0.36
CETP P11597 1/20 0.35
GAA P10253 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
PTGER1 P34995 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
MAPT P10636 1/20 0.33
MARS1 P56192 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
SCHEMBL7208554 0.91 KMT2A (0.39) KMT2ANOTUMABHD6CETPPTGDR2
SCHEMBL7141017 0.90 ABHD6 (0.43) KMT2ANOTUMABHD6MAPT
SCHEMBL7213528 0.89 KMT2A (0.40) KMT2ANOTUMABHD6CETPGAA
SCHEMBL8058096 0.87 CETP (0.38) KMT2ANOTUMABHD6CETPGAA
SCHEMBL7207878 0.86 CETP (0.37) KMT2ANOTUMABHD6CETPGAA
SCHEMBL7207825 0.86 GAA (0.36) KMT2ANOTUMABHD6CETPGAA
SCHEMBL7209116 0.85 GAA (0.38) KMT2ANOTUMABHD6CETPGAA
SCHEMBL7214134 0.85 KMT2A (0.38) KMT2ANOTUMABHD6CETPGAA
SCHEMBL29572389 0.84 KMT2A (0.41) KMT2ANOTUMABHD6CETPGAA
SCHEMBL5752911 0.84 KMT2A (0.41) KMT2ANOTUMABHD6CETPGAA

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-1056754-B1 PHOSPHATE DERIVATIVES OF DIARYL 1,3,4-OXADIAZOLONE BRISTOL MYERS SQUIBB CO (US) 2003-10-22 EP claimed