SCHEMBL8097654

SCHEMBL8097654

O=C1C(Cl)SCN1c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
MGLL Q99685 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 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
SCHEMBL8089547 0.84 TSHR (0.33) ALOX15TSHRHSD17B10ALDH1A1MAPT
SCHEMBL8103224 0.84 MEN1 (0.44) ALOX15TSHRPOLBALDH1A1ATM
SCHEMBL8105245 0.81 ALDH1A1 (0.47) ALOX15TSHRCTSGCMA1MGLL
SCHEMBL10733179 0.81 SLC6A2 (0.46) CTSGCMA1MAPT
SCHEMBL8090604 0.81 KAT2B (0.49) ALOX15HSD17B10POLBALDH1A1HTT
SCHEMBL8097620 0.81 HSD17B10 (0.39) ALOX15TSHRHSD17B10CTSGCMA1
SCHEMBL8089858 0.80 POLB (0.44) MGLLPOLBALDH1A1MAPT
SCHEMBL8098667 0.80 HDAC1 (0.38)
SCHEMBL8099358 0.78 ALDH1A1 (0.46) POLBALDH1A1MAPT
SCHEMBL8097052 0.77 MAPT (0.31) MAPT

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