SCHEMBL9747231

SCHEMBL9747231

[CH2]CCCCCCCCCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.57
HTR1A P08908 2/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 2/20 0.54
KMT2A Q03164 1/20 0.53
KCNJ1 P48048 1/20 0.52
HRH3 Q9Y5N1 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
SCHEMBL2730000 0.86 KDM4E (0.63) SIRT6HTR1AMAPTLMNASMN1; SMN2
SCHEMBL19926115 0.86 HTR1A (0.58) SIRT6HTR1AMAPTLMNAMAPK1
SCHEMBL9436570 0.86 HTR1A (0.58) SIRT6HTR1AMAPTLMNAMAPK1
SCHEMBL3187195 0.84 SIRT6 (0.59) SIRT6HTR1AMAPTLMNAMAPK1
SCHEMBL5187796 0.83 SIRT6 (0.60) SIRT6HTR1AMAPTLMNAMAPK1
SCHEMBL6945690 0.83 SIRT6 (0.65) SIRT6HTR1AMAPTLMNASMN1; SMN2
SCHEMBL5743368 0.83 HTR1A (0.61) SIRT6HTR1AMAPTLMNAMAPK1
SCHEMBL9436609 0.82 HTR1A (0.61) SIRT6HTR1AMAPTLMNAMAPK1
SCHEMBL5209234 0.82 MAPT (0.67) SIRT6HTR1AMAPTLMNAPOLB
SCHEMBL12431530 0.81 MAPT (0.70) SIRT6HTR1AMAPTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474713-A1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS. BASF AG (DE) 1992-03-18 EP disclosed
WO-1990015087-A1 (METH)ACRYLATE COPOLYMERIZATES AND THEIR USE IN NON-LINEAR OPTICS AND IN THE PRODUCTION OF LANGMUIR-BLODGETT COATINGS BASF AKTIENGESELLSCHAFT (DE) 1990-12-13 WO disclosed