SCHEMBL8097219

SCHEMBL8097219

O=C1NC(c2cccc(Oc3ccccc3)c2)SC1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
TSHR P16473 2/20 0.45
PPARG P37231 3/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
KCNH2 Q12809 1/20 0.40
HTT P42858 4/20 0.39
GAA P10253 2/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAOB P27338 2/20 0.37
MAOA P21397 1/20 0.37
MMP13 P45452 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36

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
SCHEMBL8089861 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRHTT
SCHEMBL8098691 0.83 PPARG (0.45) ALDH1A1MAPTHPGDTSHRPPARG
SCHEMBL8089669 0.82 ALDH1A1 (0.47) ALDH1A1MAPTHPGDTSHR
SCHEMBL8097095 0.78 PIM1 (0.41) ALDH1A1MAPTHPGDTSHRLMNA
SCHEMBL8097655 0.78 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTSHRHTT
SCHEMBL8090455 0.77 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRHTT
SCHEMBL8089623 0.77 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8099399 0.73 MAPT (0.49) ALDH1A1MAPTHPGDTSHRGAA
SCHEMBL8103622 0.73 ALDH1A1 (0.46) ALDH1A1MAPTHPGDTSHRALOX5
SCHEMBL8096948 0.73 PBRM1 (0.46) ALDH1A1MAPTHPGDTSHRHTT

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