SCHEMBL25413739

SCHEMBL25413739

NNC(=S)NCc1cc(F)c(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.46
▸ ALOX12 P18054 1/20 0.43
▸ KMT2A Q03164 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 5/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ LMNA P02545 3/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ IDO1 P14902 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ DPP4 P27487 2/20 0.34
▸ MAPK1 P28482 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
SCHEMBL29751996 0.81 DPP4 (0.36) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL7802391 0.79 USP28 (0.38) KMT2AMAPTMEN1PLA2G1BATG4B
SCHEMBL24709706 0.73 DPP4 (0.42) GAAALDH1A1MAPTPKMIDO1
SCHEMBL29751946 0.73 DPP4 (0.36) CHRM4DPP4
SCHEMBL29372134 0.71 GAA (0.45) GAAALOX12KMT2AALDH1A1MAPT
SCHEMBL2025930 0.71 GAA (0.45) GAAALOX12KMT2AALDH1A1MAPT
SCHEMBL2022034 0.71 ALDH1A1 (0.50) GAAALOX12KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL25414993 0.71 DPP4 (0.41) GAAKMT2AALDH1A1MAPTLMNA
SCHEMBL3559618 0.71 CHRM4 (0.42) KMT2AMEN1CHRM4DPP4
SCHEMBL31487694 0.69 CHRM4 (0.33) CHRM4DPP4

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-2023165459-A1 COMPOUNDS AS SARS-COV-2 INHIBITORS FOCHON BIOSCIENCES , LTD. (CN) 2023-09-07 — — WO disclosed
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