SCHEMBL1742733

SCHEMBL1742733

CCCCCCCC(O)CNc1ccnc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
EPHX2 P34913 1/20 0.33
PNKP Q96T60 2/20 0.33
ATG4B Q9Y4P1 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
GSR P00390 1/20 0.32
TXNRD1 Q16881 1/20 0.32
HCAR3 P49019 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
POLB P06746 1/20 0.31
FAAH O00519 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL11899734 0.81 LMNA (0.35) MAPTALDH1A1LMNASMN1; SMN2PNKP
SCHEMBL21159495 0.79 CHRM2 (0.39) MAPTALDH1A1LMNASMN1; SMN2HCAR3
SCHEMBL12138409 0.69 ALDH1A1 (0.44) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL2552457 0.69 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL1742856 0.68 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1742858 0.68 MAPT (0.39) MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL20840383 0.68 PTGS1 (0.44)
SCHEMBL10891917 0.67 MAPT (0.44) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL8598011 0.66 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL10891895 0.66 HCAR3 (0.48) MAPTALDH1A1LMNASMN1; SMN2MAPK1

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
EP-2389436-A2 STEM CELL CULTURE METHODS ITI Scotland Limited (GB) 2011-11-30 EP disclosed
US-20110257911-A1 SYSTEMS AND METHODS FOR DETECTING CHANGES IN ENERGY USAGE IN A BUILDING JOHNSON CONTROLS TECHNOLOGY COMPANY 2011-10-20 US disclosed
WO-2010084300-A2 STEM CELL CULTURE METHODS ITI SCOTLAND LIMITED (GB) 2010-07-29 WO disclosed