SCHEMBL3313745

SCHEMBL3313745

CCCCCCCCCCCCN1CCCNN1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.49
GNAO1 P09471 9/20 0.38
GNAI3 P08754 8/20 0.38
GNAI1 P63096 8/20 0.38
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GBA1 P04062 1/20 0.33
CXCR4 P61073 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL8751417 1.00 ALOX5 (0.49) ALOX5GNAO1GNAI3GNAI1EBP
SCHEMBL3310644 1.00 ALOX5 (0.49) ALOX5GNAO1GNAI3GNAI1EBP
SCHEMBL29022872 0.86 ALOX5 (0.41) ALOX5GNAO1GNAI3GNAI1EBP
SCHEMBL27877149 0.80 ALOX5 (0.51) ALOX5GNAO1GNAI3GNAI1EBP
Dimethylamine SCHEMBL2247292 0.78
SCHEMBL2504572 0.78 ALOX5 (0.49) ALOX5GNAO1GNAI3GNAI1EBP
Methylamine SCHEMBL27943477 0.77 ALOX5 (0.49) ALOX5GNAO1GNAI3GNAI1EBP
SCHEMBL16246636 0.77 CYP2C19 (0.35) MEN1KMT2A
SCHEMBL28265665 0.74 MEN1 (0.36) ALOX5MEN1KMT2A
SCHEMBL4551459 0.72 ALOX5 (0.47) ALOX5GNAO1GNAI3GNAI1MEN1

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-20100107476-A1 Compositions and Methods Including Hexahydrotriazines Useful as Direct Injection Fuel Additives AFTON CHEMICAL CORPORATION (US) 2010-05-06 US disclosed