SCHEMBL7978320

SCHEMBL7978320

C[C@H](Oc1ccc(Br)cc1)[C@H](CCc1cccnc1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
CHRNA7 P36544 3/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTAFR P25105 3/20 0.35
MDM2 Q00987 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL7834891 1.00 POLB (0.36) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7977010 1.00 POLB (0.36) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7978317 1.00 POLB (0.36) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7982592 0.90 POLB (0.35) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7832670 0.89 POLB (0.37) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7822038 0.89 POLB (0.37) POLBHPGDHTTSMN1; SMN2PTAFR
SCHEMBL7979910 0.88 TDP1 (0.35) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7979912 0.88 TDP1 (0.35) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7836651 0.87 POLB (0.36) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7822919 0.87 POLB (0.36) POLBHPGDCHRNA7HTTSMN1; SMN2

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