SCHEMBL21745759

SCHEMBL21745759

COC(=O)C(F)(F)c1ccc(Oc2ccc(C#N)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ IL18 Q14116 1/20 0.45
▸ PARP15 Q460N3 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ NR3C1 P04150 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ VNN1 O95497 1/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL23222487 0.88 PARP15 (0.43) POLBKDM4ELMNAMAPTMEN1
SCHEMBL17052788 0.87 CYP19A1 (0.47) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29700365 0.87 KDM4E (0.41) POLBKDM4ELMNAMAPTMEN1
SCHEMBL15584628 0.87 KDM4E (0.41) POLBKDM4ELMNAMAPTMEN1
SCHEMBL21745760 0.86 PARP15 (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL29700357 0.86 PARP15 (0.46) POLBKDM4ELMNAMAPTMEN1
SCHEMBL17100018 0.83 PARP15 (0.39) POLBKDM4ELMNAMAPTMEN1
SCHEMBL20180852 0.80 CYP19A1 (0.49) POLBKDM4ELMNAMAPTMEN1
SCHEMBL15006214 0.80 CYP19A1 (0.51) POLBKDM4ELMNAMAPTMEN1
SCHEMBL23222499 0.77 SCN9A (0.38) POLBKDM4ELMNAMAPTMEN1

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
WO-2020037109-A1 PROCESSES FOR FLUORINATION DOW AGROSCIENCES LLC (US) 2020-02-20 — — WO disclosed
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