SCHEMBL16573477

SCHEMBL16573477

CCN(CC)c1ccc2cc(C(=O)NNC(=O)C(N)CC(=O)OC(C)(C)C)c(=O)oc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.54
▸ KMT2A Q03164 10/20 0.54
▸ MAPT P10636 9/20 0.54
▸ ALDH1A1 P00352 5/20 0.54
▸ HPGD P15428 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ ATM Q13315 3/20 0.54
▸ KDM4E B2RXH2 5/20 0.53
▸ MAOB P27338 3/20 0.53
▸ HSD17B10 Q99714 3/20 0.53
▸ USP2 O75604 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SLC16A3 O15427 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ SLC16A1 P53985 1/20 0.53
▸ THRB P10828 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49

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
SCHEMBL16573483 0.82 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL24803042 0.78 MAOB (0.74) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL8398863 0.78 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL29611843 0.76 MEN1 (0.77) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL580009 0.76 MEN1 (0.77) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL30049119 0.76 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18470199 0.76 MEN1 (0.70) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL18618658 0.75 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27310284 0.75 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL13524251 0.74 KMT2A (0.74) MEN1KMT2AMAPTALDH1A1HPGD

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-2848696-A1 Caspase-1 imaging probes Sanofi-Aventis Deutschland GmbH (DE) 2015-03-18 — — EP disclosed
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