SCHEMBL3824872

SCHEMBL3824872

Cc1ccc(-c2ccsc2)c(OC(=O)NOC(=O)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35
TUBB6 Q9BUF5 2/20 0.35
TUBB2B Q9BVA1 2/20 0.35
TUBB1 Q9H4B7 2/20 0.35
IDH2 P48735 6/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL3825505 0.88 IDH2 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Trifluoroacetic Acid SCHEMBL3824869 0.81 BTK (0.42) BTKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3823848 0.68 CYP2A6 (0.44) BTKTUBB4ATUBBTUBA3CTUBA1B
Trifluoroacetic Acid SCHEMBL3825503 0.68 IDH2 (0.38) BTKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3825279 0.68 IDH2 (0.56) BTKIDH2P2RY14
SCHEMBL14003437 0.66 CYP2A6 (0.44) BTKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3830484 0.66 TUBB4A (0.41) BTKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3831610 0.65 P2RY14 (0.46) BTKIDH2CYP2A6ADORA2AP2RY14
SCHEMBL16875862 0.64 NR4A2 (0.51) BTKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10767146 0.63 CYP2A6 (0.49) BTKIDH2MEN1MAPTKMT2A

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-1765339-A4 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2009-09-02 EP disclosed
EP-1765339-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-03-28 EP disclosed
WO-2006005057-A2 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2006-01-12 WO disclosed