SCHEMBL4623561

SCHEMBL4623561

COC(=O)NCc1cc(CBr)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
SMN1; SMN2 Q16637 5/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.38

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 0.86 TSHR (0.62) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL1759206 0.81 TSHR (0.55) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1751580 0.81 TSHR (0.73) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4623474 0.81 TSHR (0.56) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1758939 0.80 TSHR (0.54) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4439591 0.79 TSHR (0.54) TSHRSMN1; SMN2KMT2ALMNANPC1
SCHEMBL4624413 0.78 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL754896 0.78 TSHR (0.55) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL4623289 0.77 TSHR (0.54) TSHRSMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1751524 0.76 TSHR (0.61) TSHRSMN1; SMN2KMT2ALMNAMEN1

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