SCHEMBL8090534

SCHEMBL8090534

O=C1C(O)SCN1c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.48
PIN1 Q13526 1/20 0.48
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
RECQL P46063 1/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSP90AA1 P07900 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL8089747 0.87 SLC6A2 (0.45) KMT2AMEN1MAPT
SCHEMBL8090604 0.84 KAT2B (0.49) KAT2BPIN1KMT2AMEN1GAA
SCHEMBL8103926 0.83 ALDH1A1 (0.45) KMT2AMEN1GAAPOLBMAPT
SCHEMBL8097620 0.82 HSD17B10 (0.39) POLBHPGDALOX12ALDH1A1ALOX15
SCHEMBL8090389 0.81 ALDH1A1 (0.43) KMT2AMEN1GAAMAPTALOX12
SCHEMBL6510492 0.81 KAT2B (0.46) KAT2BPIN1KMT2AMEN1GAA
SCHEMBL8096896 0.81 AR (0.49)
SCHEMBL8098980 0.80
SCHEMBL8089969 0.80 NOTUM (0.38) KMT2AMEN1POLBMAPTLMNA
SCHEMBL8090023 0.80 ALDH1A1 (0.33) KMT2AMEN1GAAMAPTALOX12

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