SCHEMBL10782822

SCHEMBL10782822

O=CN(CC#CI)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
GLA P06280 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL28574577 0.77 MAOA (0.40) ALDH1A1GLATSHRLMNA
SCHEMBL28583163 0.74 KCNH2 (0.49) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL7808021 0.72 ALOX15 (0.38) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL305842 0.71 TSHR (0.48) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL31116625 0.71 TSHR (0.48) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL1018865 0.70 ALDH1A1 (0.44) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL9435737 0.70 ALDH1A1 (0.38) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL7668430 0.70 ALDH1A1 (0.42) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL8169667 0.70 ALDH1A1 (0.38) ALDH1A1GLATSHRMEN1KMT2A
SCHEMBL10738575 0.70 ALDH1A1 (0.42) ALDH1A1GLATSHRMEN1KMT2A

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-4661632-A Halogenopropargylformamide pesticides BAYER AKTIENGESELLSCHAFT (DE) 1987-04-28 US disclosed