SCHEMBL8097620

SCHEMBL8097620

O=C1C(O)SCN1c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
RAB9A P51151 2/20 0.36
CTSG P08311 1/20 0.36
CMA1 P23946 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
MGLL Q99685 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.35
ALOX12 P18054 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
SCHEMBL8090023 0.84 ALDH1A1 (0.33) HSD17B10ALOX15TSHRALDH1A1ALOX12
SCHEMBL8097872 0.83 HTT (0.42) TSHRRAB9ACTSGCMA1ALDH1A1
SCHEMBL8097433 0.82 MEN1 (0.44) ALOX15TSHRRAB9AALDH1A1NPC1
SCHEMBL8089747 0.82 SLC6A2 (0.45) HDAC1HDAC8HDAC6RAB9ACTSG
SCHEMBL8090389 0.82 ALDH1A1 (0.43) ALOX15TSHRHDAC1HDAC8HDAC6
SCHEMBL8090534 0.82 KAT2B (0.48) HSD17B10ALOX15ALDH1A1HPGDLMNA
SCHEMBL8097654 0.81 ALOX15 (0.43) HSD17B10ALOX15TSHRCTSGCMA1
SCHEMBL8089734 0.79 HDAC1 (0.41) HDAC1HDAC8HDAC6
SCHEMBL8090371 0.79 POLB (0.44) RAB9AALDH1A1NPC1MGLLLMNA
SCHEMBL8103926 0.79 ALDH1A1 (0.45) ALDH1A1HPGDLMNAPOLB

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