SCHEMBL27936508

SCHEMBL27936508

COc1ccc(C2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 6/20 0.69
▸ NPSR1 Q6W5P4 1/20 0.65
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58

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
SCHEMBL27936466 0.88 CACNA1H (0.68) TERTCA1CA2CA9
SCHEMBL27936621 0.88 TERT (0.66) TERT
SCHEMBL14541214 0.83 MEN1 (0.76) NPSR1CA1CA2CA9MEN1
SCHEMBL27918217 0.79 TERT (0.56) TERTNPSR1MEN1KMT2A
SCHEMBL14540886 0.77 MEN1 (0.83) NPSR1CA1CA2CA9MEN1
SCHEMBL27936512 0.76 NPSR1 (0.59) TERTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL25122626 0.76 RNF114 (0.83) L3MBTL1
SCHEMBL14540884 0.75 KMT2A (0.87) NPSR1CA1CA2CA9MEN1
SCHEMBL14058387 0.75 TERT (0.74) TERTCA1CA2CA9MEN1
SCHEMBL14058077 0.73 TERT (0.71) TERTCA1CA2CA9MEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103304546-A Pyrazoline derivatives comprising 1,4-benzodioxan structure, and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2013-09-18 — — CN disclosed
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