SCHEMBL5452444

SCHEMBL5452444

CCCCCCCCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.72
NPY2R P49146 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.57
HTT P42858 1/20 0.56
NOX1 Q9Y5S8 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 2/20 0.54
ALOX12 P18054 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
CRHBP P24387 1/20 0.53
CRHR2 Q13324 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51

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
SCHEMBL5442317 0.86 HTT (0.70) NPY1RNPY2RHTTALDH1A1HPGD
SCHEMBL27686969 0.85 NPY1R (0.56) NPY1RNPY2RHTTALDH1A1HPGD
SCHEMBL5445787 0.81 ALDH1A1 (0.72) ALDH1A1HPGDLMNANPSR1CYP1A2
SCHEMBL5463741 0.81 ALDH1A1 (0.67) NPY1RNPY2RSMN1; SMN2HTTALDH1A1
SCHEMBL5446534 0.79 ALDH1A1 (0.66) NPY1RNPY2RHTTALDH1A1HPGD
SCHEMBL17293743 0.75 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1HPGDKMT2ACYP1A2
SCHEMBL5451487 0.74 ALDH1A1 (0.70) NPY1RNPY2RSMN1; SMN2HTTALDH1A1
SCHEMBL11514088 0.74 NOX1 (0.63) SMN1; SMN2HTTNOX1ALDH1A1ALOX12
SCHEMBL5448140 0.74 ALDH1A1 (0.69) SMN1; SMN2HTTALDH1A1HPGDKMT2A
SCHEMBL6097065 0.73 SMN1; SMN2 (0.78) SMN1; SMN2HTTNOX1ALDH1A1HPGD

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