SCHEMBL17667163

SCHEMBL17667163

COc1ccc(N)c(N)c1.NCOc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.50
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
THRB P10828 2/20 0.46
KMT2A Q03164 2/20 0.46
APP P05067 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
MCL1 Q07820 1/20 0.44
NR4A1 P22736 2/20 0.44
CYP19A1 P11511 1/20 0.42
ADRA1A P35348 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL234263 0.81 ALDH1A1 (0.64) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL29387850 0.81 ALDH1A1 (0.64) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL29524042 0.79 ALDH1A1 (0.68) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL202563 0.79 ALDH1A1 (0.68) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL215131 0.79 ALDH1A1 (0.68) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL3362252 0.79 TDP1 (0.61) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL11741203 0.77 TDP1 (0.58) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL20512950 0.77 CA12 (0.58) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL7397514 0.74 ALDH1A1 (0.67) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL28847767 0.74 ALDH1A1 (0.61) TDP1MAPK1ALDH1A1CYP3A4SMN1; SMN2

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-3006610-B1 ORGANIC RESIN NON-CRIMPED STAPLE FIBER TEIJIN LTD (JP) 2017-07-19 EP disclosed
US-20160177476-A1 ORGANIC RESIN NON-CRIMPED STAPLE FIBER TEIJIN LIMITED (JP) 2016-06-23 US disclosed
EP-3006610-A1 ORGANIC RESIN NON-CRIMPED STAPLE FIBER Teijin Limited (JP) 2016-04-13 EP disclosed