SCHEMBL6901995

SCHEMBL6901995

CC(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 6/20 0.59
RAB9A P51151 1/20 0.57
HTT P42858 3/20 0.57
HPGD P15428 2/20 0.57
FFAR1 O14842 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
LIPE Q05469 1/20 0.55
POLB P06746 1/20 0.55
XBP1 P17861 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PPARG P37231 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL10839309 0.90 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL11360493 0.89 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL9519820 0.87 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL20626585 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL2622341 0.87 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL9421514 0.86 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL11349350 0.86 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNARAB9AHTT
SCHEMBL9790809 0.86 LMNA (0.67) SMN1; SMN2ALDH1A1LMNARAB9AHTT
Haloxyfop SCHEMBL33627 0.85 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNARAB9AHTT
Haloxyfop SCHEMBL3675562 0.85 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1LMNARAB9AHTT

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-1423010-A2 SELECTIVE HERBICIDE COMPRISING A TETRAZOLINONE DERIVATIVE Bayer CropScience AG (DE) 2004-06-02 EP disclosed
EP-1303189-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES Bayer CropScience AG (DE) 2003-04-23 EP disclosed
WO-2003020035-A2 SELECTIVE HERBICIDE COMPRISING A TETRAZOLINONE DERIVATIVE BAYER CROPSCIENCE AG (DE) 2003-03-13 WO disclosed
WO-2002001957-A1 ARYL SULFONYL AMINO CARBONYL TRIAZOLE BASED SELECTIVE HERBICIDES BAYER CROPSCIENCE AG (DE) 2002-01-10 WO disclosed