SCHEMBL8089631

SCHEMBL8089631

O=C1C(Cl)SCN1c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.42
NOTUM Q6P988 2/20 0.38
ALDH1A1 P00352 1/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
ADRB1 P08588 1/20 0.38
AADAT Q8N5Z0 1/20 0.37
HTR1A P08908 1/20 0.37
HTR2A P28223 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
RAD51 Q06609 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35
BCL2A1 Q16548 1/20 0.35
DHODH Q02127 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
SCHEMBL8097784 0.87 MGLL (0.41) NOTUMALDH1A1ADRB1AADAT
SCHEMBL8090067 0.83 P2RX7 (0.41) P2RX7NOTUMALDH1A1DRD2DRD3
SCHEMBL8099397 0.75 MAPT (0.59) NOTUMALDH1A1AADATHTR1APHOSPHO1
SCHEMBL8099175 0.74 MAPT (0.58) P2RX7NOTUMALDH1A1DRD2DRD3
SCHEMBL8105245 0.73 ALDH1A1 (0.47) ALDH1A1DRD2DRD3
SCHEMBL10732284 0.73 L3MBTL1 (0.39) P2RX7ALDH1A1AADAT
SCHEMBL8098675 0.73 NOTUM (0.41) P2RX7NOTUMALDH1A1DRD3AADAT
SCHEMBL8103224 0.71 MEN1 (0.44) ALDH1A1
SCHEMBL8103735 0.70 DRD2 (0.39) NOTUMDRD2DRD3ADRB1HTR1A
SCHEMBL8097654 0.70 ALOX15 (0.43) ALDH1A1

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