SCHEMBL7696336

SCHEMBL7696336

COC(=O)c1ccc(OCC(N)C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
RAB9A P51151 4/20 0.51
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 1/20 0.46
BLM P54132 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
STS P08842 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20794591 0.81 MAPT (0.64) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL20765902 0.78 MAPT (0.68) MAPTRAB9AGAATSHRALDH1A1
Hydrochloric Acid SCHEMBL444911 0.78 MAPT (0.58) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL25334000 0.76 MAPT (0.66) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL1249230 0.76 MAPT (0.66) MAPTRAB9AGAALMNACA1
SCHEMBL6305761 0.76 MAPT (0.66) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL27243771 0.76 MAPT (0.66) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL5156673 0.75 MAPT (0.55) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL7771488 0.75 MAPT (0.64) MAPTRAB9AGAATSHRALDH1A1
SCHEMBL28335563 0.75 MAPT (0.64) MAPTRAB9AGAATSHRALDH1A1

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
WO-2002051822-A2 ISOTHIAZOLECARBOXAMIDES AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2002-07-04 WO disclosed