SCHEMBL18179599

SCHEMBL18179599

N#CCCN(Cc1ccccc1)c1ccc(N=Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
TDP1 Q9NUW8 3/20 0.43
MAPK1 P28482 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HSP90AA1 P07900 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CTSB P07858 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL29384730 0.90 MAPT (0.50) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL15627463 0.90 MAPT (0.50) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL17787267 0.88 CA12 (0.46) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL23259594 0.86 MAPT (0.46) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL22974892 0.86 MAPT (0.46) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL16222316 0.85 MAPT (0.48) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL24891223 0.83 MAPT (0.43) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL29141580 0.82 MAPT (0.40) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL16997052 0.81 MAPT (0.48) MAPTNPC1RAB9ATDP1MAPK1
SCHEMBL17787265 0.81 MAPT (0.41) MAPTNPC1RAB9ATDP1MAPK1

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-20160312403-A1 DISPERSE DYE COMPOSITION, DISPERSE DYE AND PREPARATION METHOD AND USE THEREOF ZHEJIANG RUNTU CO., LTD. (CN) 2016-10-27 US disclosed
US-20160312403-A1 DISPERSE DYE COMPOSITION, DISPERSE DYE AND PREPARATION METHOD AND USE THEREOF ZHEJIANG RUNTU CO., LTD. (CN) 2016-10-27 US disclosed