SCHEMBL11453387

SCHEMBL11453387

O=C(O)C(NC(=O)N1CCN(N=Cc2ccccc2)C(=O)C1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ CCKBR P32239 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ RBP4 P02753 2/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 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
SCHEMBL10680454 1.00 MEN1 (0.38) MEN1KMT2AATMSMN1; SMN2CCKBR
SCHEMBL10680460 1.00 MEN1 (0.38) MEN1KMT2AATMSMN1; SMN2CCKBR
SCHEMBL11444997 1.00 MEN1 (0.38) MEN1KMT2AATMSMN1; SMN2CCKBR
SCHEMBL10679992 0.91 MEN1 (0.38) MEN1KMT2AATMSMN1; SMN2CCKBR
SCHEMBL10679997 0.91 MEN1 (0.38) MEN1KMT2AATMSMN1; SMN2CCKBR
SCHEMBL10713868 0.89 KDM4E (0.45) MEN1KMT2AATMSMN1; SMN2RAB9A
SCHEMBL10676899 0.84 MEN1 (0.37) MEN1KMT2AATMSMN1; SMN2RAB9A
SCHEMBL10676907 0.84 MEN1 (0.37) MEN1KMT2AATMSMN1; SMN2RAB9A
SCHEMBL10990529 0.81 KDM4E (0.42) MEN1KMT2AATMSMN1; SMN2RAB9A
SCHEMBL10990527 0.81 KDM4E (0.42) MEN1KMT2AATMSMN1; SMN2RAB9A

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-4189482-A Penicillins having an imino substituted piperazindioncarbonylamino acyl sidechain E. R. SQUIBB & SONS, INC. (US) 1980-02-19 — — US disclosed
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