SCHEMBL24098359

SCHEMBL24098359

C/C(Cc1c[nH]c2ccccc12)=N\CC(F)(F)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.45
▸ KMT2A Q03164 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPT P10636 6/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ PKM P14618 2/20 0.44
▸ LMNA P02545 4/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ AHR P35869 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ FNTA P49354 1/20 0.43
▸ FNTB P49356 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL24098360 0.88 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13333434 0.76 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1854707 0.76 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9531242 0.72 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL24582613 0.71 MEN1 (0.44) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL24582014 0.70 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16927514 0.70 MAPT (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL16927515 0.70 MAPT (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3567792 0.70 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13316003 0.70 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-2021249533-A1 ESTROGEN RECEPTOR MODULATOR COMPOUND AND USE THEREOF 江苏先声药业有限公司 2021-12-16 — — WO disclosed
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