SCHEMBL16573485

SCHEMBL16573485

CCCCCCCCCCCCCCCC(=O)NCCCCC(NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)C(=O)NN

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.48
▸ KMT2A Q03164 7/20 0.48
▸ MAPT P10636 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ATM Q13315 3/20 0.48
▸ MAOB P27338 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ SLC16A3 O15427 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ SLC16A1 P53985 1/20 0.47
▸ MET P08581 2/20 0.46
▸ GBA1 P04062 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ STAT3 P40763 1/20 0.45

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
SCHEMBL16573482 0.91 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16573484 0.87 MEN1 (0.42) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16573483 0.85 MEN1 (0.40) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL21615668 0.82 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17737793 0.80 KMT2A (0.65) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19423826 0.79 MEN1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL19423733 0.78 MEN1 (0.55) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL25168007 0.78 KMT2A (0.61) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8562232 0.77 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL417122 0.76 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1SMN1; 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
EP-2848696-A1 Caspase-1 imaging probes Sanofi-Aventis Deutschland GmbH (DE) 2015-03-18 — — EP disclosed
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