SCHEMBL5450411

SCHEMBL5450411

CCCCCCCCCCCC(=O)NC(=S)Nc1ncccn1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.54
KMT2A Q03164 2/20 0.53
ALOX12 P18054 1/20 0.53
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 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
SCHEMBL16596333 0.85 LMNA (0.57) HPGDKMT2ALMNACYP1A2CYP2C19
SCHEMBL22610228 0.83 LMNA (0.58) HPGDKMT2ALMNACYP1A2CYP2C19
SCHEMBL16596330 0.78 LMNA (0.56) ALOX12LMNACYP1A2CYP2C19
SCHEMBL8993787 0.77 SOAT2 (0.64) ALDH1A1HPGDKMT2AALOX12LMNA
SCHEMBL5446534 0.74 ALDH1A1 (0.66) ALDH1A1HPGDKMT2AALOX12LMNA
SCHEMBL5449989 0.74 TDP1 (0.71) ALDH1A1KMT2AALOX12LMNACYP2C19
Dipyridyl SCHEMBL28452523 0.74 CYP1A2 (0.56) LMNACYP1A2CYP2C19
SCHEMBL27686977 0.73 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ALMNAMAPT
SCHEMBL13204664 0.73 RAB9A (0.58) ALDH1A1KMT2ALMNA
SCHEMBL7824959 0.72 HPGD (0.63) ALDH1A1HPGDKMT2ACYP1A2CYP3A4

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