SCHEMBL8090063

SCHEMBL8090063

O=C1C(Cl)SCN1c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
AADAT Q8N5Z0 1/20 0.36
HTR1A P08908 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.34
CETP P11597 2/20 0.34
TSHR P16473 2/20 0.33
MIF P14174 1/20 0.33
MPL P40238 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
BRD4 O60885 1/20 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
SCHEMBL8090374 0.84 FFAR4 (0.39) HTR7ALDH1A1MAPTNPSR1XBP1
SCHEMBL8098667 0.79 HDAC1 (0.38) AADAT
SCHEMBL6509757 0.77 MEN1 (0.43) ALDH1A1KMT2AMEN1
SCHEMBL8103368 0.76 MAPT (0.49) HTR7ALDH1A1MAPTNPSR1XBP1
SCHEMBL8103626 0.76 AR (0.49)
SCHEMBL8098966 0.76 ADRB1 (0.36) FFAR4
SCHEMBL10732284 0.73 L3MBTL1 (0.39) ALDH1A1MAPTKMT2AMEN1AADAT
SCHEMBL8098675 0.73 NOTUM (0.41) ALDH1A1AADATMPL
SCHEMBL8105919 0.73 FFAR4 (0.34) HTR7ALDH1A1MAPTNPSR1XBP1
SCHEMBL8090604 0.70 KAT2B (0.49) ALDH1A1MAPTKMT2AMEN1HPGD

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-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
EP-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed