SCHEMBL27936621

SCHEMBL27936621

O=C(c1ccc2c(c1)OCCO2)N1N=C(c2ccc(Br)cc2)CC1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 4/20 0.66
▸ BCL2 P10415 13/20 0.65
▸ BECN1 Q14457 8/20 0.65
▸ CACNA1H O95180 1/20 0.62
▸ RAF1 P04049 1/20 0.61
▸ BRAF P15056 1/20 0.61
▸ MAPK8 P45983 1/20 0.61

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 0.90 CACNA1H (0.68) TERTCACNA1H
SCHEMBL27936508 0.88 TERT (0.69) TERT
SCHEMBL27918217 0.87 TERT (0.56) TERTBCL2BECN1CACNA1HRAF1
SCHEMBL23269397 0.79 BCL2 (1.00) BCL2BECN1CACNA1H
SCHEMBL14541165 0.78 CACNA1H (0.78) BCL2BECN1CACNA1H
SCHEMBL23268979 0.77 BCL2 (0.68) BCL2BECN1CACNA1H
SCHEMBL14541217 0.77 CA1 (0.74) BCL2BECN1CACNA1H
SCHEMBL23269007 0.77 BCL2 (1.00) BCL2BECN1
SCHEMBL29808004 0.76 BRAF (1.00) TERTCACNA1HRAF1BRAFMAPK8
SCHEMBL23268937 0.75 BCL2 (1.00) BCL2BECN1

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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