SCHEMBL16792015

SCHEMBL16792015

CCCCCCCCCCCN(CCCCCCCCCCC)c1ccc(N=Nc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CNR2 P34972 3/20 0.43
KCNH2 Q12809 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
JAK2 O60674 1/20 0.41
PAX8 Q06710 1/20 0.41
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
INSR P06213 1/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL16791889 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791909 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791893 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791941 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791913 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791892 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791901 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791907 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791945 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10
SCHEMBL16791910 1.00 ALDH1A1 (0.50) ALDH1A1TDP1TSHRMAPK1HSD17B10

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
US-10054571-B2 Monoazo-based dye for acid detection KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-08-21 US disclosed
US-20160327529-A1 MONOAZO-BASED DYE FOR ACID DETECTION KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2016-11-10 US disclosed
WO-2015088134-A1 MONOAZO-BASED DYE FOR ACID DETECTION 경북대학교 산학협력단 2015-06-18 WO disclosed