SCHEMBL16072279

SCHEMBL16072279

CC(=O)c1ccc(NC(=O)CCCN2C(=O)C=CC2=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ GAA P10253 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ PARP1 P09874 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ FURIN P09958 1/20 0.46

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
SCHEMBL30433664 0.82 HPGD (0.56) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL20543330 0.82 MAPT (0.72) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL15630167 0.80 SMN1; SMN2 (0.49) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL12514955 0.79 ALDH1A1 (0.60) MAPTALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL12018032 0.78 RAB9A (0.46) MAPTALDH1A1SMN1; SMN2NPC1GAA
SCHEMBL13753209 0.77 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2NPC1THRB
SCHEMBL21731488 0.77 HPGD (0.72) MAPTALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL12211157 0.76 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPC1FURIN
SCHEMBL27892102 0.76 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPC1KMT2A
SCHEMBL7566026 0.76 ALDH1A1 (0.66) MAPTALDH1A1SMN1; SMN2NPC1GAA

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
WO-2014141094-A1 ANTICANCER CONJUGATE ADAMED SP. Z O.O. (PL) 2014-09-18 — — WO disclosed
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