SCHEMBL24027846

SCHEMBL24027846

CNc1cccc(C(F)(F)C2(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 2/20 0.43
▸ LMNA P02545 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TP53 P04637 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ ICMT O60725 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDK2 Q15119 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL25214857 0.80 LMNA (0.51) LMNAMEN1KMT2ATP53ALDH1A1
SCHEMBL1420853 0.76 IDH2 (0.66) IDH2RAPGEF4L3MBTL1MEN1KMT2A
SCHEMBL31395652 0.76 IDH2 (0.66) IDH2RAPGEF4L3MBTL1MEN1KMT2A
SCHEMBL30212852 0.76 LMNA (0.50) LMNAL3MBTL1MEN1KMT2ATP53
SCHEMBL24027843 0.76 LMNA (0.50) LMNAL3MBTL1MEN1KMT2ATP53
SCHEMBL24027852 0.76 TSHR (0.55) SLC6A4ALDH1A1TDP1
SCHEMBL30213082 0.76 TSHR (0.55) SLC6A4ALDH1A1TDP1
SCHEMBL24027853 0.76 CA1 (0.45) LMNASLC6A4SLC6A3ALDH1A1
SCHEMBL30255954 0.75 RXFP1 (0.54) LMNAL3MBTL1MEN1KMT2ATP53
SCHEMBL24027840 0.75 RXFP1 (0.54) LMNAL3MBTL1MEN1KMT2ATP53

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-2021229571-A1 IMIDAZOLE 3-OXIDE DERIVATIVE BASED ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2021-11-18 — — WO disclosed
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