SCHEMBL20079389

SCHEMBL20079389

N#Cc1cccc(N=O)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NOTUM Q6P988 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ SLC22A12 Q96S37 1/20 0.33
▸ BCAT1 P54687 1/20 0.33
▸ USP8 P40818 1/20 0.32
▸ USP7 Q93009 1/20 0.32
▸ EGLN2 Q96KS0 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ HTT P42858 1/20 0.31

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
SCHEMBL8490160 0.83 LMNA (0.50) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL1533157 0.78 TSHR (0.46) ALDH1A1NOTUMCA1CA2PDK2
SCHEMBL10052139 0.78 MAOA (0.45) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL12948003 0.76 ALDH1A1 (0.45) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL31663089 0.76 LMNA (0.35) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL3154087 0.72 CA1 (0.39) ALDH1A1NOTUMCA1CA2PDK2
SCHEMBL13361828 0.72 TRPV4 (0.38) ALDH1A1MEN1KMT2ASLC22A12USP8
SCHEMBL13096355 0.72 LMNA (0.41) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL13077768 0.72 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL158537 0.72 BCAT1 (0.49) ALDH1A1NOTUMCA1CA2TSHR

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-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 — — US disclosed
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