SCHEMBL8103368

SCHEMBL8103368

O=C1CSCN1c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
HTR7 P34969 1/20 0.40
HTR1A P08908 1/20 0.40
ALDH1A1 P00352 5/20 0.40
PKM P14618 1/20 0.40
FFAR4 Q5NUL3 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
XBP1 P17861 1/20 0.35
MPL P40238 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B3 P37058 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
BRD4 O60885 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL8098928 0.76 MAPT (0.44) MAPTKMT2AMEN1OPRM1OPRL1
SCHEMBL8090063 0.76 HTR7 (0.38) MAPTHTR7HTR1AALDH1A1PKM
SCHEMBL8105974 0.75 MEN1 (0.49) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL8099362 0.73 AR (0.52) MAPT
SCHEMBL8090374 0.73 FFAR4 (0.39) MAPTHTR7HTR1AALDH1A1PKM
SCHEMBL8090313 0.73 MAPT (0.44) MAPTALDH1A1PKMKMT2AMEN1
SCHEMBL29872362 0.73 HTR1A (0.41) MAPTHTR1AFFAR4KMT2AMEN1
SCHEMBL8788103 0.72 ADRB1 (0.47) MAPTALDH1A1FFAR4KDM4ENPSR1
SCHEMBL8090394 0.71 MAPT (0.42) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL8788652 0.71 MAPT (0.50) MAPTALDH1A1PKMKMT2AMEN1

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 3 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
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed