SCHEMBL5451487

SCHEMBL5451487

CCCCCCCCCCCC(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.70
LMNA P02545 2/20 0.70
KMT2A Q03164 5/20 0.67
HPGD P15428 4/20 0.67
MEN1 O00255 3/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
CYP2C19 P33261 2/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2D6 P10635 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
ALOX12 P18054 1/20 0.61
MAPT P10636 3/20 0.58
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
NPY1R P25929 1/20 0.57
NPY2R P49146 1/20 0.57
ATM Q13315 1/20 0.56
CCR6 P51684 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL5463741 0.91 ALDH1A1 (0.67) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL5448140 0.88 ALDH1A1 (0.69) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL5452848 0.84 ALDH1A1 (0.79) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL1095433 0.80 HTT (0.80) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL31436946 0.80 HTT (0.80) ALDH1A1KMT2AHPGDMEN1CYP1A2
SCHEMBL8066246 0.76 POLB (0.64) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL1935766 0.76 GAA (0.70) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL6405857 0.75 ALDH1A1 (0.73) ALDH1A1LMNAKMT2AHPGDMEN1
SCHEMBL23412472 0.75 POLB (0.65) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL18548983 0.75 POLB (0.65) ALDH1A1LMNAKMT2AMEN1SMN1; SMN2

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