SCHEMBL7208554

SCHEMBL7208554

O=c1oc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cc(Cl)ccc1OCOP

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
PTGER1 P34995 8/20 0.36
CETP P11597 1/20 0.36
NOTUM Q6P988 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
DDR1 Q08345 1/20 0.34
MAPT P10636 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
SCHEMBL7212915 0.91 KMT2A (0.39) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL7213528 0.90 KMT2A (0.40) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL7207825 0.87 GAA (0.36) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL7141017 0.87 ABHD6 (0.43) KMT2ANOTUMABHD6MAPT
SCHEMBL7212720 0.87 CETP (0.38) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL7214134 0.87 KMT2A (0.38) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL8058096 0.85 CETP (0.38) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL7207878 0.84 CETP (0.37) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL7209116 0.83 GAA (0.38) KMT2APTGER1CETPNOTUMABHD6
SCHEMBL5752911 0.82 KMT2A (0.41) KMT2ACETPNOTUMABHD6

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