SCHEMBL5445709

SCHEMBL5445709

CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(N(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
HPGD P15428 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 1/20 0.59
HDAC3 O15379 2/20 0.58
HDAC4 P56524 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC7 Q8WUI4 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC10 Q969S8 2/20 0.58
HDAC11 Q96DB2 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
HDAC9 Q9UKV0 2/20 0.58
HDAC5 Q9UQL6 2/20 0.58
PTGES O14684 1/20 0.56
NPC1 O15118 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL5452508 0.89 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL16229452 0.87 SIRT2 (0.70) SIRT2SIRT1
SCHEMBL22871621 0.84 HDAC3 (0.73) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7824959 0.83 HPGD (0.63) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL5445850 0.82 CNR1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL27686977 0.81 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL18255371 0.79 PSMB11 (0.74) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7024489 0.77 HDAC3 (0.66) ALDH1A1HPGDHDAC3HDAC4HDAC1
SCHEMBL5455510 0.77 NPC1 (0.74) ALDH1A1HPGDMEN1KMT2AHDAC1
SCHEMBL30125025 0.77 NPC1 (0.74) ALDH1A1HPGDMEN1KMT2AHDAC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed