SCHEMBL6986419

SCHEMBL6986419

O=C(O)[C@@H]1CCCN1c1c(Cl)cc(Cl)c(-c2nsc(C(F)(F)F)c2Cl)c1Br

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.35
ITGB2 P05107 3/20 0.31
ICAM1 P05362 3/20 0.31
ITGAL P20701 3/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PLAU P00749 2/20 0.30

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
SCHEMBL6738983 0.71
SCHEMBL6735462 0.69
SCHEMBL21520924 0.63 KMT2A (0.55) KMT2AMAPTITGB2ICAM1ITGAL
SCHEMBL21520926 0.63 KMT2A (0.55) KMT2AMAPTITGB2ICAM1ITGAL
SCHEMBL3698930 0.62 CNR1 (0.62) KMT2AMAPTCNR1CNR2ALDH1A1
SCHEMBL3703692 0.62 CNR1 (0.62) KMT2AMAPTCNR1CNR2ALDH1A1
SCHEMBL11985500 0.61 NOTUM (0.49) MAPTCNR1CNR2
SCHEMBL3783905 0.59 CNR1 (0.58) KMT2AMAPTCNR1CNR2ALDH1A1
SCHEMBL2569669 0.57 CNR2 (0.54) KMT2AMAPTCNR1CNR2ALDH1A1
SCHEMBL2943150 0.57 MAPT (0.44) KMT2AMAPTCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289970-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2003-03-12 EP disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 WO disclosed