SCHEMBL10905468

SCHEMBL10905468

CC(CC(=O)O)N(C(=O)Nc1ccccc1)N(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.51
▸ NPY5R Q15761 5/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ATM Q13315 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ HDAC3 O15379 2/20 0.41
▸ HDAC4 P56524 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC7 Q8WUI4 2/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC10 Q969S8 2/20 0.41
▸ HDAC11 Q96DB2 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL27342617 0.82 MTOR (0.58) MTORNPY5RMEN1KMT2AALDH1A1
SCHEMBL10906199 0.75 CHRNB2 (0.33) —
SCHEMBL10931873 0.72 POLB (0.63) LMNAHPGDALDH1A1TSHRKDM4E
SCHEMBL11754900 0.72 MTOR (0.72) MTORNPY5RMEN1KMT2AATM
SCHEMBL10906601 0.71 GAA (0.49) MTORLMNAHPGDKDM4EHDAC3
Fenuron SCHEMBL8366971 0.70 TSHR (0.64) MTORMEN1KMT2ATSHR
Fenuron SCHEMBL62004 0.70 TSHR (0.64) MTORMEN1KMT2ATSHR
Fenuron SCHEMBL10806698 0.70 TSHR (0.64) MTORMEN1KMT2ATSHR
Fenuron SCHEMBL9451054 0.70 TSHR (0.64) MTORMEN1KMT2ATSHR
SCHEMBL11270620 0.70 MTOR (0.59) MTORNPY5RMEN1KMT2AALDH1A1

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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