SCHEMBL8685604

SCHEMBL8685604

CN(C)N(Br)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 3/20 0.38
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
FAAH O00519 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
CA1 P00915 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.35
KCNN4 O15554 1/20 0.35
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4442328 0.77
SCHEMBL28527463 0.77 ALDH1A1 (0.38) MEN1HTTKMT2ATSHRFAAH
SCHEMBL6057245 0.74 HTT (0.46) MEN1HTTKMT2ATSHRCA12
SCHEMBL3565508 0.71 MEN1 (0.55) MEN1HTTKMT2ATSHRCA12
SCHEMBL6277514 0.71 MEN1 (0.48) MEN1HTTKMT2ATSHRCA12
Chlorobenzene SCHEMBL28210824 0.70 TSHR (0.58) MEN1HTTKMT2ATSHRLMNA
SCHEMBL7879117 0.69
SCHEMBL11637039 0.69 ALDH1A1 (0.41) MEN1HTTKMT2ATSHRL3MBTL1
SCHEMBL20385081 0.69 MEN1 (0.52) MEN1HTTKMT2ACA12CA2
SCHEMBL21208167 0.69 ALDH1A1 (0.67) MEN1HTTKMT2ATSHRCA12

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-5739078-A FOR THERMAL RECORDING PAPERS AND PRESSURE SENSITIVE COPYING PAPERS NIPPON SODA CO., LTD. (JP) 1998-04-14 US disclosed
EP-0735105-A1 NOVEL FLUORAN COMPOUND, INTERMEDIATE, AND CHROMOGENIC RECORDING MATERIAL NIPPON SODA CO., LTD. (JP) 1996-10-02 EP disclosed