SCHEMBL20135764

SCHEMBL20135764

O=C(CF)C(F)(F)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.39
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ SLC22A1 O15245 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SLC47A1 Q96FL8 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL29788112 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL12746102 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL1773218 0.79 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL2465434 0.78 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL11396996 0.75 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL20166850 0.75 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL16158201 0.75 CES1 (0.52) L3MBTL1SMN1; SMN2KDM4ECES2CES1
SCHEMBL20166133 0.74 AHR (0.47) L3MBTL1SMN1; SMN2KDM4EAHRGAA
SCHEMBL1171809 0.74 HDAC1 (0.66) —
SCHEMBL17120566 0.74 HMOX1 (0.45) L3MBTL1SMN1; SMN2KDM4ETHRBALDH1A1

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-3319943-A1 NITROGENOUS HETEROCYCLES AS A PESTICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-05-16 — — EP disclosed
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