SCHEMBL8096948

SCHEMBL8096948

O=C1NC(c2cccc(C(F)(F)F)c2)SC1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTR2C P28335 4/20 0.42
GUSB P08236 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2B P41595 2/20 0.37
CISD1 Q9NZ45 2/20 0.37
TTR P02766 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM1A O60341 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
SCHEMBL8089737 0.83 PBRM1 (0.43) PBRM1MAPTALDH1A1HPGDTSHR
SCHEMBL8090521 0.83 ALDH1A1 (0.63) PBRM1MAPTALDH1A1HPGDTSHR
SCHEMBL8788750 0.83 PBRM1 (0.43) PBRM1MAPTALDH1A1HPGDTSHR
SCHEMBL8096940 0.81 ALDH1A1 (0.49) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL8089669 0.81 ALDH1A1 (0.47) MAPTALDH1A1HPGDTSHRPIM1
SCHEMBL8097655 0.79 ALDH1A1 (0.70) MAPTALDH1A1HPGDTSHRLMNA
SCHEMBL8089623 0.78 ALDH1A1 (0.49) MAPTALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL8090455 0.78 ALDH1A1 (0.49) MAPTALDH1A1HPGDTSHRHTR2C
SCHEMBL8097793 0.78 ALDH1A1 (0.52) PBRM1MAPTALDH1A1HPGDTSHR
SCHEMBL8097095 0.77 PIM1 (0.41) MAPTALDH1A1HPGDTSHRLMNA

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 6 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-0763020-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1997-03-19 EP disclosed
WO-1995033719-A1 SUBSTITUTED PYRROLIDONE, THIAZOLIDONES OR OXAZOLIDONES AS HERBICIDES ZENECA LIMITED (GB) 1995-12-14 WO 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