SCHEMBL5162402

SCHEMBL5162402

NCCNCCN(C(=O)c1ccc(N)cc1)C(=O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
TSHR P16473 3/20 0.41
CYP2C19 P33261 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ACHE P22303 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
SCN1A P35498 2/20 0.39
SCN2A Q99250 2/20 0.39
SCN3A Q9NY46 2/20 0.39
CYP3A4 P08684 3/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37
PHLPP2 Q6ZVD8 1/20 0.36

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
SCHEMBL9775729 0.83 PHLPP2 (0.42) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL10974934 0.81 CRHBP (0.46) LMNATSHRALDH1A1MAPK1MAPT
SCHEMBL10976036 0.80 CRHBP (0.45) LMNATSHRALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL10976506 0.80 CRHBP (0.45) LMNATSHRALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL10980156 0.79 CRHBP (0.44) LMNATSHRALDH1A1MAPK1MAPT
SCHEMBL11120368 0.72 CA12 (0.61) LMNATSHRCYP2C19ALDH1A1PMP22
Terephthalic Acid SCHEMBL28028514 0.69 TSHR (0.55) LMNATSHRALDH1A1BLMPMP22
SCHEMBL27585672 0.69 CYP2C19 (0.48) LMNATSHRCYP2C19ALDH1A1PMP22
SCHEMBL11619588 0.68 TSHR (0.70) LMNATSHRCYP2C19SLC22A2SLC22A1
SCHEMBL11711619 0.68 NPC1 (0.49) LMNATSHRCYP2C19ALDH1A1SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751206-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF Sawyer, Kenneth I. (US) 2007-02-14 EP claimed
WO-2005113487-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF SAWYER KENNETH I (US) 2005-12-01 WO claimed
EP-1751206-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF Sawyer, Kenneth I. (US) 2007-02-14 EP disclosed
WO-2005113487-A2 POLYUREA COMPOSITIONS AND COMPOUNDS FOR THE PREPARATION THEREOF SAWYER KENNETH I (US) 2005-12-01 WO disclosed