SCHEMBL7966693

SCHEMBL7966693

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
CHRNA7 P36544 3/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MDM2 Q00987 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTAFR P25105 3/20 0.37
NAMPT P43490 1/20 0.37
LMNA P02545 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37

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
SCHEMBL7979920 1.00 POLB (0.43) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7833084 1.00 POLB (0.43) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7834569 1.00 POLB (0.43) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7836121 1.00 POLB (0.43) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7836118 1.00 POLB (0.43) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7833077 1.00 POLB (0.43) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7982583 0.90 CYP1A2 (0.47) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7982797 0.90 CYP1A2 (0.47) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7983238 0.88 POLB (0.41) POLBHPGDCHRNA7HTTSMN1; SMN2
SCHEMBL7966771 0.88 POLB (0.41) 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