SCHEMBL22337571

SCHEMBL22337571

CN1CC[C@@H](C(=O)Nc2cccc(F)c2F)C1=S

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.50
▸ CHRM3 P20309 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ THRB P10828 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR1F P30939 1/20 0.38
▸ UBE2M P61081 1/20 0.38
▸ DCUN1D1 Q96GG9 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KCNQ2 O43526 1/20 0.36

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
SCHEMBL30486800 0.86 TP53 (0.51) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL22337503 0.86 TP53 (0.51) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL22337322 0.86 TP53 (0.51) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL22591707 0.79 TP53 (0.49) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL30486819 0.79 TP53 (0.49) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL27060609 0.77 TP53 (0.52) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL23386315 0.77 TP53 (0.44) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL23911987 0.76 TP53 (0.48) TP53CHRM3TSHRSMN1; SMN2MEN1
SCHEMBL21662059 0.75 KMT2A (0.53) TSHRSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30486807 0.75 KMT2A (0.53) TSHRSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022033893-A1 HERBICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION AG (CH) 2022-02-17 — — WO disclosed
WO-2020161148-A2 PYRAZOLE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
WO-2020161147-A1 HERBICIDAL MIXTURES SYNGENTA CROP PROTECTION AG (CH) 2020-08-13 — — WO disclosed
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