SCHEMBL8103622

SCHEMBL8103622

N#Cc1cccc(C2NC(=O)C(Cl)S2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
ABCC9 O60706 3/20 0.43
ABCC8 Q09428 3/20 0.43
KCNJ11 Q14654 3/20 0.43
KCNJ8 Q15842 3/20 0.43
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALOX5 P09917 1/20 0.35
CYP19A1 P11511 1/20 0.34
PGR P06401 1/20 0.34
LDHA P00338 1/20 0.34
GRM5 P41594 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL9389991 0.92 ALDH1A1 (0.40) ALDH1A1MAPTHPGDTSHRABCC9
SCHEMBL8099374 0.83 ABCC9 (0.43) ALDH1A1MAPTHPGDTSHRABCC9
SCHEMBL8097655 0.79 ALDH1A1 (0.70) ALDH1A1MAPTHPGDTSHRPGR
SCHEMBL8090455 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRABCC9
SCHEMBL8096940 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRCYP19A1
SCHEMBL8089623 0.78 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHR
SCHEMBL8096948 0.74 PBRM1 (0.46) ALDH1A1MAPTHPGDTSHR
SCHEMBL8089861 0.74 ALDH1A1 (0.49) ALDH1A1MAPTHPGDTSHRDDB1
SCHEMBL8099399 0.74 MAPT (0.49) ALDH1A1MAPTHPGDTSHRDRD2
SCHEMBL8097219 0.73 ALDH1A1 (0.45) ALDH1A1MAPTHPGDTSHRALOX5

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