SCHEMBL4432401

SCHEMBL4432401

COc1ccc(Br)cc1-c1[c]ccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.47
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
PPARG P37231 2/20 0.40
NCOA2 Q15596 2/20 0.40
NCOA1 Q15788 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.40
AGPAT2 O15120 3/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
SLC9A1 P19634 1/20 0.38
POLB P06746 1/20 0.37
WDR5 P61964 3/20 0.37

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
SCHEMBL4433587 0.83 GAA (0.41) AMY1AMGAMGAASIMGAM2
SCHEMBL4429822 0.83 ACHE (0.43) ALDH1A1LMNAMAPTAGPAT2NPC1
SCHEMBL4436863 0.80 AGPAT2 (0.37) AMY1AAGPAT2
SCHEMBL4608507 0.80 HSP90AA1 (0.41) ALDH1A1MAPTRAB9ASMN1; SMN2HPGD
SCHEMBL4429951 0.79 KCNQ3 (0.42) ALDH1A1LMNAMAPTRAB9AHPGD
SCHEMBL4432252 0.79 S100A4 (0.35) MGAMGAASIMGAM2
SCHEMBL4432195 0.79 HTT (0.34) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14125145 0.74 GAA (0.56) AMY1AMGAMGAASIMGAM2
SCHEMBL8532282 0.74 CYP1A1 (0.46) GAAALDH1A1LMNAMAPTGFER
SCHEMBL28385990 0.74 MAPK10 (0.33) GAAALDH1A1LMNAMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121660-A2 FUNGICIDAL AMIDES E. I. Du Pont de Nemours and Company (US) 2009-11-25 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
WO-2008091580-A2 FUNGICIDAL AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 WO disclosed