SCHEMBL5775466

SCHEMBL5775466

COCCOCc1nc(C(F)(F)F)ccc1C(=O)OC1=CC(=O)C2CCC1C2

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 1/20 0.30
TUBB2B Q9BVA1 1/20 0.30
TUBB1 Q9H4B7 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
SCHEMBL1201585 1.00 IDH1 (0.32) IDH1DRD2DRD4TUBB4ATUBB
SCHEMBL1201584 0.84
SCHEMBL4652962 0.81 LMNA (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4652963 0.81 LMNA (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30177122 0.81 DRD2 (0.32) IDH1DRD2DRD4TUBB4ATUBB
SCHEMBL275480 0.81 DRD2 (0.32) IDH1DRD2DRD4TUBB4ATUBB
SCHEMBL18416028 0.81 DRD4 (0.34) IDH1DRD2DRD4
SCHEMBL25395218 0.80 IDH1 (0.33) IDH1DRD2DRD4
SCHEMBL25395238 0.80 IDH1 (0.33) IDH1DRD2DRD4
SCHEMBL30036634 0.80 IDH1 (0.33) IDH1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286985-B1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-21 EP disclosed
EP-1574510-A1 Substituted pyridine herbicides Syngenta Participations AG (CH) 2005-09-14 EP disclosed
US-6838564-B2 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. (US) 2005-01-04 US disclosed