SCHEMBL19445551

SCHEMBL19445551

CC(=O)c1cc(NC(=O)CCCCNC(=N)N)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 10/20 0.49
▸ HDAC4 P56524 10/20 0.49
▸ HDAC1 Q13547 10/20 0.49
▸ HDAC7 Q8WUI4 10/20 0.49
▸ HDAC2 Q92769 10/20 0.49
▸ HDAC10 Q969S8 10/20 0.49
▸ HDAC11 Q96DB2 10/20 0.49
▸ HDAC8 Q9BY41 10/20 0.49
▸ HDAC6 Q9UBN7 10/20 0.49
▸ HDAC9 Q9UKV0 10/20 0.49
▸ HDAC5 Q9UQL6 10/20 0.49
▸ EGFR P00533 9/20 0.49
▸ PRMT1 Q99873 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 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
SCHEMBL9335840 0.84 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8445092 0.80 ALDH1A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6579751 0.80 ALDH1A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6581661 0.80 ALDH1A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8844788 0.80 ALDH1A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17614784 0.80 ALDH1A1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13536389 0.77 HDAC3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7569662 0.76 ALDH1A1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29401086 0.76 ALDH1A1 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6579889 0.75 HDAC1 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2

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-2709619-B1 COMPOUNDS FOR USE IN TREATMENT OF MUCOSITIS CELLCEUTIX CORP (US) 2017-10-11 — — EP disclosed
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