SCHEMBL8097217

SCHEMBL8097217

O=C1C(Cl)SCN1c1cccc(Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.41
CMA1 P23946 2/20 0.41
MAPT P10636 1/20 0.41
HIF1A Q16665 1/20 0.41
THRB P10828 1/20 0.41
MGLL Q99685 4/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAOB P27338 1/20 0.39
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
AADAT Q8N5Z0 1/20 0.37
AKR1C3 P42330 1/20 0.36
PLCG1 P19174 1/20 0.36
AKR1B1 P15121 1/20 0.36
NTRK1 P04629 1/20 0.35
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35

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
SCHEMBL8103224 0.83 MEN1 (0.44) MAPTNPC1
SCHEMBL8098686 0.83 THRB (0.46) CTSGCMA1MAPTHIF1ATHRB
SCHEMBL8089666 0.81 DRD2 (0.44) MGLL
SCHEMBL8089618 0.78 FAAH (0.42) MGLLFAAH
SCHEMBL8097791 0.78 L3MBTL1 (0.45) MAPTMGLLMAOB
SCHEMBL8096938 0.78 FADS1 (0.44) MAPTMGLLFAAH
SCHEMBL8090453 0.78 ATM (0.48) MGLLNPC1
SCHEMBL8097093 0.78 PIM1 (0.41) MAPTFGFR1
SCHEMBL8098475 0.75 CTSG (0.47) CTSGCMA1MAPTTHRBMGLL
SCHEMBL6509757 0.75 MEN1 (0.43)

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