SCHEMBL11229006

SCHEMBL11229006

NCCNc1ccccc1.[Hg]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MAPT P10636 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.52
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
KIF11 P52732 1/20 0.45
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
IDO1 P14902 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL307775 0.97 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CA12CA9
SCHEMBL23016009 0.97 ALDH1A1 (0.64) ALDH1A1MAPTL3MBTL1CA12CA9
Hydrochloric Acid SCHEMBL6694629 0.95 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CA12CA9
Hydrochloric Acid SCHEMBL28583635 0.95 ALDH1A1 (0.61) ALDH1A1MAPTL3MBTL1CA12CA9
SCHEMBL10866952 0.85 ALDH1A1 (0.50) ALDH1A1MAPTL3MBTL1CA12CA9
Acetic Acid SCHEMBL4587624 0.85 MAPT (0.50) ALDH1A1MAPTL3MBTL1CA12CA9
SCHEMBL8972676 0.84 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1CA12CA9
SCHEMBL1937279 0.84 ALDH1A1 (0.60) ALDH1A1MAPTL3MBTL1CA12CA9
SCHEMBL26967033 0.83 ALDH1A1 (0.48) ALDH1A1MAPTL3MBTL1CA12CA9
SCHEMBL1072934 0.83 MAPT (0.73) ALDH1A1MAPTL3MBTL1IDO1HDAC3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4324799-A Fungicidal thioglycolic acid anilides, processes for their manufacture and pesticidal compositions containing them HOECHST AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed