SCHEMBL7106301

SCHEMBL7106301

NCc1cc(NC(=O)CCCC(=O)O)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ POLB P06746 3/20 0.54
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ CASP3 P42574 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ GAA P10253 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HPGD P15428 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 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
SCHEMBL7106421 0.86 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL7110198 0.86 POLB (0.54) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL16817792 0.82 ALDH1A1 (0.56) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL7106419 0.81 KMT2A (0.57) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL7111208 0.81 ALDH1A1 (0.63) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL28246794 0.79 CYP3A4 (0.53) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL7108738 0.78 HDAC1 (0.54) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL7107371 0.78 POLB (0.82) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL27909123 0.77 POLB (0.66) ALDH1A1POLBMEN1KMT2AL3MBTL1
SCHEMBL7109810 0.77 POLB (0.70) ALDH1A1POLBMEN1KMT2AL3MBTL1

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-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 — — EP disclosed
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