SCHEMBL7979912

SCHEMBL7979912

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PTAFR P25105 4/20 0.35
CHRNA7 P36544 3/20 0.35
POLB P06746 2/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL7979910 1.00 TDP1 (0.35) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7978317 0.88 POLB (0.36) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7834891 0.88 POLB (0.36) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7977010 0.88 POLB (0.36) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7978320 0.88 POLB (0.36) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7966092 0.87 POLB (0.34) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7966090 0.87 POLB (0.34) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7982592 0.87 POLB (0.35) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7978389 0.80 CHRNA7 (0.41) TDP1L3MBTL1PTAFRCHRNA7POLB
SCHEMBL7822038 0.80 POLB (0.37) PTAFRPOLBHPGDALDH1A1HTT

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