SCHEMBL9236648

SCHEMBL9236648

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.46
SELE P16581 1/20 0.46
VCAM1 P19320 1/20 0.46
P2RX3 P56373 1/20 0.43
CHEK2 O96017 1/20 0.42
KDM1A O60341 1/20 0.42
PARP1 P09874 1/20 0.41
LMNA P02545 2/20 0.40
HTR2B P41595 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
ACHE P22303 1/20 0.39
PIN1 Q13526 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
PDE4B Q07343 1/20 0.39
SCN9A Q15858 1/20 0.39
F10 P00742 1/20 0.39
WDR5 P61964 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8726514 0.88 PTGER2 (0.46) P2RX3KDM1ALMNAL3MBTL1PIN1
SCHEMBL8722252 0.81 MAPT (0.59) LMNAL3MBTL1PIN1KDM4EMEN1
SCHEMBL8724307 0.81 L3MBTL1 (0.57) P2RX3LMNAL3MBTL1KDM4EMEN1
SCHEMBL9233259 0.81 MAPT (0.49) ICAM1SELECHEK2L3MBTL1PIN1
SCHEMBL9237096 0.78 SLC6A2 (0.43) P2RX3LMNAL3MBTL1SCN9AALDH1A1
SCHEMBL29654005 0.71 KDM1A (0.78) KDM1ALMNAL3MBTL1KDM4EMEN1
SCHEMBL28707161 0.71 KDM1A (0.78) KDM1ALMNAL3MBTL1KDM4EMEN1
SCHEMBL5343234 0.70 KDM4E (0.45) P2RX3LMNAL3MBTL1ACHEKDM4E
SCHEMBL11588419 0.70 P2RX3 (0.55) P2RX3MAPT
SCHEMBL28192184 0.68 HTR2B (0.44) P2RX3LMNAHTR2BACHEMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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