SCHEMBL22897749

SCHEMBL22897749

O=C(CCl)Nc1cc(F)ccc1COCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.37
▸ MAPK1 P28482 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ POLB P06746 1/20 0.35

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
SCHEMBL22897508 0.86 ALDH1A1 (0.51) KMT2ASMN1; SMN2HTTMEN1MAPT
SCHEMBL29559840 0.86 ALDH1A1 (0.51) KMT2ASMN1; SMN2HTTMEN1MAPT
SCHEMBL22897846 0.84 MALT1 (0.42) KMT2ASMN1; SMN2HTTMEN1LMNA
SCHEMBL22897925 0.84 ALDH1A1 (0.40) KMT2ASMN1; SMN2HTTMEN1LMNA
SCHEMBL22897918 0.83 ALDH1A1 (0.47) KMT2AHTTMEN1LMNAMAPT
SCHEMBL22897907 0.81 ALDH1A1 (0.43) KMT2ASMN1; SMN2HTTMEN1LMNA
SCHEMBL29559380 0.80 SMN1; SMN2 (0.45) ARSMN1; SMN2HTTMAPTALDH1A1
SCHEMBL22897993 0.80 SMN1; SMN2 (0.45) ARSMN1; SMN2HTTMAPTALDH1A1
SCHEMBL28932073 0.79 MAPT (0.46) KMT2ASMN1; SMN2HTTMEN1LMNA
SCHEMBL28694139 0.79 ALDH1A1 (0.55) KMT2ASMN1; SMN2HTTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 — — CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
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