SCHEMBL8726514

SCHEMBL8726514

O=C(O)c1csc(Oc2cccc(Cl)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 1/20 0.46
LDHA P00338 1/20 0.45
P2RX3 P56373 2/20 0.42
PIN1 Q13526 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
IGFBP3 P17936 1/20 0.41
XDH P47989 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
RXRA P19793 1/20 0.41

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
SCHEMBL9236648 0.88 ICAM1 (0.46) P2RX3PIN1LMNAL3MBTL1KDM4E
SCHEMBL8722252 0.85 MAPT (0.59) PIN1LMNAL3MBTL1KDM4EMEN1
SCHEMBL5343234 0.84 KDM4E (0.45) P2RX3LMNAL3MBTL1KDM4EALDH1A1
SCHEMBL11588419 0.82 P2RX3 (0.55) PTGER2LDHAP2RX3MAPTMRGPRX4
SCHEMBL8724307 0.82 L3MBTL1 (0.57) P2RX3LMNAL3MBTL1KDM4EMEN1
SCHEMBL28320654 0.80 MAPT (0.50) PTGER2LDHAPIN1L3MBTL1KDM4E
SCHEMBL2872521 0.80 PTGS1 (0.48) P2RX3LMNAKDM4EMEN1ALDH1A1
SCHEMBL4355343 0.72 TLR7 (0.64) LDHALMNAL3MBTL1KDM4EMEN1
SCHEMBL2873881 0.72 P2RX3 (0.42) P2RX3LMNAIGFBP3XDHSLC22A12
SCHEMBL11412089 0.71 HRH3 (0.54) XDHSLC22A12RXRARXRBRXRG

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-0700394-B1 HERBICIDAL THIAZOLE DERIVATIVES SHELL INT RESEARCH (NL) 1998-04-01 EP disclosed
US-5693594-A Herbicidal thiazole derivatives AMERICAN CYANAMID COMPANY (US) 1997-12-02 US disclosed
EP-0700394-A1 HERBICIDAL THIAZOLE DERIVATIVES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-03-13 EP disclosed
WO-1994027983-A1 HERBICIDAL THIAZOLE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-12-08 WO disclosed