SCHEMBL7471683

SCHEMBL7471683

COc1c(C)sc2ccc(C(=O)Cl)c(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.34
PRNP P04156 1/20 0.34
TSHR P16473 1/20 0.34
PPARG P37231 1/20 0.34
HTT P42858 1/20 0.34
MAPK10 P53779 1/20 0.34
NCOA2 Q15596 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
STING1 Q86WV6 1/20 0.32
MAPT P10636 5/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
CDC7 O00311 2/20 0.32
PLK4 O00444 2/20 0.32
DYRK3 O43781 2/20 0.32
ROCK2 O75116 2/20 0.32
PRKD3 O94806 2/20 0.32
MAP4K4 O95819 2/20 0.32

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
SCHEMBL7464408 0.88 TDP1 (0.40) MAPK1TSHRHTTSTING1MAPT
SCHEMBL7470966 0.87 BACE1 (0.38) NPSR1MAPTKDM4EALDH1A1GSK3B
Hydrochloric Acid SCHEMBL7471693 0.87 TDP1 (0.39) MAPK1TSHRHTTSTING1MAPT
SCHEMBL9239722 0.79 ALDH1A1 (0.38) TSHRNPSR1STING1MAPTKDM4E
SCHEMBL7466991 0.78 DYRK1A (0.32) MAPK1STING1MAPTKDM4EALDH1A1
SCHEMBL9116067 0.77 MCL1 (0.44) MAPK1PRNPTSHRPPARGHTT
SCHEMBL11281015 0.76 ALDH1A1 (0.38) MAPK1HTTNPSR1MAPTKDM4E
SCHEMBL9117375 0.75 LMNA (0.39) MAPK1PRNPTSHRPPARGHTT
SCHEMBL7469350 0.73 DHODH (0.31) RAB9ANPC1
SCHEMBL1748844 0.73 RAB9A (0.42) MAPK1HTTMAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0636622-B1 Isoxazole derivatives and their use as herbicides AVENTIS AGRICULTURE LTD (GB) 2002-10-23 EP disclosed
EP-1160244-A1 Isoxazole derivatives and their use as herbicides RHONE-POULENC AGRICULTURE LIMITED (GB) 2001-12-05 EP disclosed
US-5489570-A PRE- OR POST-EMERGENCE RHONE-POULENC AGRICULTURE LIMITED (GB) 1996-02-06 US disclosed
EP-0636622-A1 Isoxazole derivatives and their use as herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-02-01 EP disclosed