SCHEMBL8090455

SCHEMBL8090455

O=C1NC(c2cccc(Br)c2)SC1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
TSHR P16473 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 6/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 2/20 0.39
KDM1A O60341 3/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC4 P56524 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
GAA P10253 1/20 0.33
ABCC9 O60706 2/20 0.33
ABCC8 Q09428 2/20 0.33
KCNJ11 Q14654 2/20 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
SCHEMBL8097655 0.83 ALDH1A1 (0.70) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL8096940 0.81 ALDH1A1 (0.49) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL8089623 0.81 ALDH1A1 (0.49) ALDH1A1HPGDTSHRMAPTGAA
SCHEMBL8096856 0.81 TSHR (0.46) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL8103622 0.78 ALDH1A1 (0.46) ALDH1A1HPGDTSHRMAPTDDB1
SCHEMBL8099137 0.78 ALDH1A1 (0.46) ALDH1A1HPGDTSHRMAPTKDM1A
SCHEMBL8099399 0.78 MAPT (0.49) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL8096948 0.78 PBRM1 (0.46) ALDH1A1HPGDTSHRMAPTKDM1A
SCHEMBL8089861 0.78 ALDH1A1 (0.49) ALDH1A1HPGDTSHRMAPTKMT2A
SCHEMBL8097219 0.77 ALDH1A1 (0.45) ALDH1A1HPGDTSHRMAPTKMT2A

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