SCHEMBL8724307

SCHEMBL8724307

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
P2RX3 P56373 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 6/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ANO1 Q5XXA6 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.46
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL18002876 0.85 P2RX3 (0.61) L3MBTL1CYP1A2CYP2C19GABRA2GABRB2
SCHEMBL5345436 0.85 RAB9A (0.56) CYP1A2CYP2C19GABRA2GABRB2P2RX3
SCHEMBL4229129 0.84 SMN1; SMN2 (0.47) L3MBTL1CYP1A2CYP2C19P2RX3SMN1; SMN2
SCHEMBL18003044 0.84 P2RX3 (0.49) L3MBTL1CYP1A2CYP2C19GABRA2GABRB2
SCHEMBL16398928 0.83 KDM4E (0.57) L3MBTL1CYP1A2CYP2C19CYP2C9SMN1; SMN2
SCHEMBL8726514 0.82 PTGER2 (0.46) L3MBTL1P2RX3SMN1; SMN2MAPTALDH1A1
SCHEMBL9236648 0.81 ICAM1 (0.46) L3MBTL1CYP1A2CYP2C19CYP2C9P2RX3
SCHEMBL2328911 0.78 L3MBTL1 (0.74) L3MBTL1CYP1A2GABRA2GABRB2SMN1; SMN2
SCHEMBL23355309 0.77 RAB9A (0.51) CYP1A2CYP2C19P2RX3SMN1; SMN2MAPT
SCHEMBL8722252 0.76 MAPT (0.59) L3MBTL1SMN1; SMN2MAPTNPC1RAB9A

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