SCHEMBL10907611

SCHEMBL10907611

COC(=O)CC(CC(=O)O)N(C(=O)c1ccccc1)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.46
▸ KCNA5 P22460 6/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ ABCB1 P08183 2/20 0.40
▸ TSHR P16473 1/20 0.38
▸ AKT1 P31749 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL10906611 0.68 KMT2A (0.44) KMT2ATSHRHDAC1HDAC6
SCHEMBL10907616 0.68 KMT2A (0.44) KMT2ATSHRMEN1HDAC1HDAC6
SCHEMBL12373434 0.67 CPA1 (0.50) MAOBABCB1
SCHEMBL11058157 0.67 MAOB (0.48) MAOBKCNA5ABCB1
SCHEMBL12473253 0.67 KCNA5 (0.65) KCNA5KMT2ATSHRPOLB
SCHEMBL10906191 0.66 HSD11B1 (0.42) KMT2AMEN1HDAC1HDAC6
SCHEMBL12268202 0.66 ALDH1A1 (0.61) KCNA5KMT2AMEN1POLB
SCHEMBL1811811 0.66 ALDH1A1 (0.61) KCNA5KMT2AMEN1POLB
SCHEMBL22076551 0.66 KMT2A (0.49) KCNA5KMT2AABCB1TSHRAKT1
SCHEMBL8535929 0.66 KCNA5 (0.49) KCNA5KMT2ATSHRAKT1MEN1

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
US-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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