SCHEMBL29429239

SCHEMBL29429239

O=C(O)[C@@H](Cc1c[nH]c2ccccc12)NI

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.67
ACE P12821 3/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KDM4E B2RXH2 2/20 0.63
MAPT P10636 2/20 0.63
APAF1 O14727 1/20 0.63
POLB P06746 1/20 0.63
RECQL P46063 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.63
LMNA P02545 1/20 0.63
MPO P05164 1/20 0.63
TSHR P16473 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
KMT2A Q03164 1/20 0.63
HIF1A Q16665 1/20 0.63
ITGB2 P05107 3/20 0.62
ICAM1 P05362 3/20 0.62
ITGAL P20701 3/20 0.62

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
SCHEMBL29429240 1.00 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL20816097 1.00 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL18830959 1.00 ALOX15 (0.67) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL30782236 0.88 ALOX15 (0.70) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL19090900 0.87 ECE1 (0.61) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL170878 0.87 KDM4E (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL2167226 0.87 ALOX15 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL170877 0.87 KDM4E (0.69) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL1755294 0.87 ALOX15 (0.68) ALOX15ACESMN1; SMN2KDM4EMAPT
SCHEMBL15226899 0.86 ALOX15 (0.64) ALOX15ACESMN1; SMN2KDM4EMAPT

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
CN-114047238-A L-His-ZIF-8 chiral material, preparation method and application 常州大学 2022-02-15 CN disclosed