SCHEMBL4623474

SCHEMBL4623474

COC(=O)NCc1cc(CC#N)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.45
KMT2A Q03164 2/20 0.39
LMNA P02545 3/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.37
RAB9A P51151 2/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL4623701 0.82 TSHR (0.62) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL4623561 0.81 TSHR (0.60) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL4439591 0.78 TSHR (0.54) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL1751580 0.78 TSHR (0.73) TSHRSMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL1758939 0.77 TSHR (0.54) TSHRSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL12483495 0.75 ALDH1A1 (0.49) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL754896 0.75 TSHR (0.55) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL1759206 0.75 TSHR (0.55) TSHRSMN1; SMN2KMT2ALMNAMAPT
SCHEMBL4624413 0.75 TSHR (0.55) TSHRSMN1; SMN2NPC1MAPTRAB9A
SCHEMBL753192 0.74 TSHR (0.51) TSHRSMN1; SMN2KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1201648-B1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-04-02 EP disclosed
US-6812229-B1 OXIME SUBSTITUTED PHENYL; RAIN-FAST WITHOUT CROP DAMAGE; CUCUMBER DOWNY MILDEW, APPLE SCAB, WHEAT POWDERY MILDEW, RICE BLAST, CUCUMBER GRAY MOLD, RICE SHEATH BLIGHT, WHEAT BROWN LEAF RUST, WHEAT SEPTORIA LEAF BLOTCH AND CUCUMBER STEM ROT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-11-02 US disclosed
EP-1201648-A1 CARBAMATE DERIVATIVES AND AGRICULTURAL/HORTICULTURAL BACTERICIDES KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-05-02 EP disclosed