SCHEMBL7122014

SCHEMBL7122014

COc1cc(C(C)=O)cc(I)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
BPTF Q12830 1/20 0.54
TPMT P51580 2/20 0.50
TUBB1 Q9H4B7 4/20 0.45
TUBB4A P04350 3/20 0.45
TUBB P07437 3/20 0.45
TUBA3C P0DPH7 3/20 0.45
TUBA1B P68363 3/20 0.45
TUBA4A P68366 3/20 0.45
TUBB4B P68371 3/20 0.45
TUBB3 Q13509 3/20 0.45
TUBB2A Q13885 3/20 0.45
TUBB8 Q3ZCM7 3/20 0.45
TUBA3E Q6PEY2 3/20 0.45
TUBA1A Q71U36 3/20 0.45
TUBA1C Q9BQE3 3/20 0.45
TUBB6 Q9BUF5 3/20 0.45
TUBB2B Q9BVA1 3/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 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
SCHEMBL22991541 0.88 TPMT (0.61) LMNABPTFTPMTALDH1A1POLB
SCHEMBL24106208 0.88 LMNA (0.53) LMNABPTFTPMTTUBB1TUBB4A
SCHEMBL290542 0.86 LMNA (0.69) LMNATPMTTUBB1TUBB4ATUBB
SCHEMBL3544388 0.85 TPMT (0.69) LMNABPTFTPMTHTTTSHR
Hydrochloric Acid SCHEMBL29142671 0.84 LMNA (0.67) LMNATPMTTUBB1TUBB4ATUBB
SCHEMBL7122998 0.84 BPTF (0.53) LMNABPTFTPMTTUBB1TUBB4A
SCHEMBL28534372 0.84 TPMT (0.53) BPTFTPMTTSHRALDH1A1POLB
SCHEMBL5779960 0.84 BPTF (0.74) BPTFTPMTTUBB1TUBB4ATUBB
SCHEMBL6944075 0.83 LMNA (0.78) LMNABPTFTPMTHTTTSHR
SCHEMBL22991535 0.81 BPTF (0.46) BPTFTPMTTUBB1TUBB4ATUBB

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-0793656-B1 NOVEL BENZYL PYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2003-03-26 EP disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 WO disclosed