SCHEMBL15919247

SCHEMBL15919247

Nc1c(CC2CO2)ccc(-c2ccccc2)c1N

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 1/20 0.33
MGLL Q99685 2/20 0.33
KDM4E B2RXH2 2/20 0.33
USP30 Q70CQ3 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRM2 P08172 1/20 0.32
TDO2 P48775 1/20 0.32
TAAR1 Q96RJ0 2/20 0.31
MEN1 O00255 1/20 0.31
L3MBTL1 Q9Y468 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
Methane SCHEMBL27559661 0.98 TDP1 (0.34) TDP1DPP4ALDH1A1KMT2AHSD17B10
Methane SCHEMBL28781700 0.98 TDP1 (0.34) TDP1DPP4ALDH1A1KMT2AHSD17B10
SCHEMBL27614989 0.78 DPP4 (0.48) TDP1DPP4ALDH1A1KMT2AKDM4E
Ammonia Solution, Strong SCHEMBL28371571 0.76 DPP4 (0.47) TDP1DPP4ALDH1A1KMT2AKDM4E
Hydrogen Sulfide SCHEMBL27879825 0.76 DPP4 (0.47) TDP1DPP4KMT2ACHRM2
SCHEMBL27523154 0.75
SCHEMBL15918926 0.74 TDP1 (0.42) TDP1ALDH1A1KMT2ASMN1; SMN2TAAR1
Methylamine SCHEMBL27513735 0.73 DPP4 (0.41) TDP1DPP4ALDH1A1KMT2AHSD17B10
SCHEMBL11625447 0.73 ESR2 (0.49) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL687434 0.72 DPP4 (0.39) TDP1DPP4ALDH1A1KMT2AKDM4E

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
US-9534157-B2 Composition for an adhesive material VACUUMSCHMELZE GMBH & CO. KG (DE) 2017-01-03 US disclosed
US-20140221530-A1 COMPOSITION FOR AN ADHESIVE MATERIAL VACUUMSCHMELZE GMBH & CO. KG (DE) 2014-08-07 US disclosed