SCHEMBL7982592

SCHEMBL7982592

CC(C)C(Oc1ccc(Br)cc1)C(CCc1cccnc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
PTAFR P25105 4/20 0.34
CHRNA7 P36544 3/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MDM2 Q00987 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7978317 0.90 POLB (0.36) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7834891 0.90 POLB (0.36) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7978320 0.90 POLB (0.36) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7977010 0.90 POLB (0.36) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7980385 0.87 POLB (0.35) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7979912 0.87 TDP1 (0.35) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7979910 0.87 TDP1 (0.35) POLBHPGDPTAFRCHRNA7HTT
SCHEMBL7832670 0.81 POLB (0.37) POLBHPGDPTAFRHTTSMN1; SMN2
SCHEMBL7822038 0.81 POLB (0.37) POLBHPGDPTAFRHTTSMN1; SMN2
SCHEMBL7983238 0.79 POLB (0.41) POLBHPGDPTAFRCHRNA7HTT

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
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed