Sugi Predict

Sugi Predict / Compounds / Thiabendazole

Thiabendazole

Thiabendazole

SCHEMBL6677181

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H](C(=O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@H](O)C(=O)O)O[C@@H]2CO)[C@@H](O)[C@H]1O.c1ccc2[nH]c(-c3cscn3)nc2c1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY1 P47900 4/20 0.42
▸ P2RY2 P41231 3/20 0.42
▸ SRC P12931 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ DNPH1 O43598 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42
▸ TAS1R1 Q7RTX1 1/20 0.42
▸ P2RY11 Q96G91 1/20 0.42

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
SCHEMBL118874 0.86 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29392466 0.86 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL5934015 0.86 P2RY1 (0.56) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL8481547 0.76 P2RY1 (0.46) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Allosamidin SCHEMBL407945 0.73 CHIA (0.52) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL22612675 0.66 RNASEL (0.70) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine SCHEMBL472873 0.66 ADORA1 (0.63) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine SCHEMBL10980572 0.66 ADORA1 (0.74) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL5881235 0.66 P2RY1 (0.89) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL3828789 0.66 P2RY1 (0.92) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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-1465485-A2 NANOPARTICLES COMPRISING A CROP PROTECTION AGENT BASF AKTIENGESELLSCHAFT (DE) 2004-10-13 — — EP disclosed
WO-2003039249-A2 NANOPARTICLES COMPRISING A CROP PROTECTION AGENT BASF AKTIENGESELLSCHAFT (DE) 2003-05-15 — — WO disclosed