SCHEMBL5452508

SCHEMBL5452508

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
HPGD P15428 3/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50

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
SCHEMBL5445709 0.89 ALDH1A1 (0.59) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL7824959 0.80 HPGD (0.63) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL5445850 0.79 CNR1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL27686977 0.78 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL16229452 0.76 SIRT2 (0.70) SIRT2SIRT1
SCHEMBL7024489 0.74 HDAC3 (0.66) ALDH1A1HPGDNPC1RAB9ALMNA
SCHEMBL30125025 0.74 NPC1 (0.74) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL5455510 0.74 NPC1 (0.74) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL14096378 0.74 ALDH1A1 (0.65) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL22871621 0.73 HDAC3 (0.73) ALDH1A1HPGDMEN1KMT2AMAPT

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-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