SCHEMBL23642631

SCHEMBL23642631

NN1CCC[C@@H](C(=O)Nc2cccc(F)c2F)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.49
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CHRM3 P20309 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ KCNQ2 O43526 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 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
SCHEMBL23911988 0.89 ALDH1A1 (0.47) TP53LMNATSHRSMN1; SMN2ALDH1A1
SCHEMBL23911979 0.88 LMNA (0.43) TP53MEN1KMT2ALMNATHRB
SCHEMBL22591707 0.85 TP53 (0.49) TP53MEN1KMT2ALMNATHRB
SCHEMBL30486819 0.85 TP53 (0.49) TP53MEN1KMT2ALMNATHRB
SCHEMBL27060609 0.81 TP53 (0.52) TP53MEN1KMT2ALMNATHRB
SCHEMBL22337503 0.80 TP53 (0.51) TP53MEN1KMT2ATHRBTSHR
SCHEMBL30486800 0.80 TP53 (0.51) TP53MEN1KMT2ATHRBTSHR
SCHEMBL22337322 0.80 TP53 (0.51) TP53MEN1KMT2ATHRBTSHR
SCHEMBL23642722 0.80 MEN1 (0.61) MEN1KMT2ALMNAALDH1A1L3MBTL1
SCHEMBL23642606 0.77 TP53 (0.46) TP53MEN1KMT2ALMNATHRB

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-3368523-B1 NOVEL PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-07-14 — — EP disclosed
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