SCHEMBL8098475

SCHEMBL8098475

O=C1CSCN1c1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.47
CMA1 P23946 2/20 0.47
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.43
MAOB P27338 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PLCG1 P19174 1/20 0.41
MGLL Q99685 4/20 0.40
AKR1C3 P42330 1/20 0.39
AKR1B1 P15121 1/20 0.38
THRB P10828 1/20 0.38
NTRK1 P04629 2/20 0.38
IGF1R P08069 2/20 0.38
FGFR1 P11362 2/20 0.38
NTRK2 Q16620 2/20 0.38
NTRK3 Q16288 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL8099334 0.83 MGLL (0.49) CTSGCMA1MAPTMGLL
SCHEMBL6031714 0.82 ALDH1A1 (0.59) CTSGCMA1ALDH1A1MEN1KMT2A
SCHEMBL8099301 0.79 DRD2 (0.46) MAPT
SCHEMBL5736692 0.78 CTSG (0.51) CTSGCMA1ALDH1A1MEN1KMT2A
SCHEMBL8096492 0.78 MAPT (0.64) CTSGCMA1ALDH1A1MEN1KMT2A
SCHEMBL8099171 0.76 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTMGLL
SCHEMBL8089771 0.76 MAPT (0.46) ALDH1A1MEN1KMT2AMAPTMGLL
SCHEMBL8096511 0.76 L3MBTL1 (0.53) MEN1KMT2AMAPTMAOBMGLL
SCHEMBL8096930 0.76 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTMGLL
SCHEMBL8103729 0.76 PIM1 (0.44) ALDH1A1MAPTFGFR1

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