SCHEMBL8089547

SCHEMBL8089547

O=C1C(Cl)SCN1c1cc(Cl)cc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MAPT P10636 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
ADRB1 P08588 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ALOX15 P16050 3/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
KCNH2 Q12809 1/20 0.31
NOTUM Q6P988 1/20 0.30

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
SCHEMBL8097654 0.84 ALOX15 (0.43) TSHRALDH1A1HSD17B10MAPTALOX15
SCHEMBL8105245 0.83 ALDH1A1 (0.47) TSHRDRD2DRD3ALDH1A1MAPT
SCHEMBL10729227 0.80 TSHR (0.36) TSHRDRD2DRD3ALDH1A1HSD17B10
SCHEMBL8090023 0.80 ALDH1A1 (0.33) TSHRDRD2DRD3ALDH1A1HSD17B10
SCHEMBL10733179 0.80 SLC6A2 (0.46) MAPTMEN1ALOX12KMT2A
SCHEMBL8090604 0.79 KAT2B (0.49) DRD2DRD3ALDH1A1HSD17B10MAPT
SCHEMBL8098966 0.78 ADRB1 (0.36) ADRB1
SCHEMBL8103224 0.78 MEN1 (0.44) TSHRALDH1A1MAPTALOX15MEN1
SCHEMBL8099397 0.75 MAPT (0.59) ALDH1A1MAPTMEN1KMT2ANOTUM
SCHEMBL8097791 0.74 L3MBTL1 (0.45) DRD2DRD3ALDH1A1MAPTKMT2A

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-0672038-A1 HERBICIDES ZENECA LIMITED (GB) 1995-09-20 EP disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed
US-4664694-A NONPHYTOTOXIC UNIROYAL CHEMICAL COMPANY, INC. (US) 1987-05-12 US disclosed
EP-0200415-A1 Substituted thiazolidinones UNIROYAL CHEMICAL COMPANY, Inc. (US) 1986-11-05 EP disclosed