SCHEMBL29957090

SCHEMBL29957090

CN1CCCC/C1=C\C=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 5/20 0.49
▸ GAA P10253 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ PSMD14 O00487 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ BRD4 O60885 1/20 0.43
▸ BRD2 P25440 1/20 0.43
▸ IDE P14735 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ INMT O95050 2/20 0.33
▸ HPGD P15428 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
SCHEMBL22421089 0.79 MEN1 (0.46) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL13959889 0.75 — —
SCHEMBL13959902 0.73 MEN1 (0.40) MEN1MAPTKMT2AALDH1A1GAA
Formic Acid SCHEMBL29566043 0.71 BRD4 (0.70) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL14269386 0.70 KMT2A (0.56) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL2058995 0.70 KMT2A (0.56) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL2058993 0.70 KMT2A (0.56) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL15172264 0.70 MEN1 (0.45) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL18576755 0.70 INMT (0.38) MEN1MAPTKMT2AALDH1A1GAA
SCHEMBL120927 0.69 — —

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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