SCHEMBL14540890

SCHEMBL14540890

O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Br)cc2)CC1c1ccccn1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 15/20 0.68
▸ BECN1 Q14457 8/20 0.68
▸ PKM P14618 2/20 0.58
▸ CACNA1H O95180 1/20 0.56
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52

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
SCHEMBL25416384 0.90 BCL2 (0.68) BCL2BECN1PKMCACNA1H
SCHEMBL14541076 0.87 PKM (0.60) BCL2BECN1PKMCA1CA2
SCHEMBL14541150 0.86 PKM (0.54) BCL2BECN1PKMCA1CA2
SCHEMBL25414897 0.86 BCL2 (0.77) BCL2BECN1CACNA1H
SCHEMBL14541217 0.83 CA1 (0.74) BCL2BECN1CACNA1HCA1CA2
SCHEMBL25560094 0.81 BCL2 (0.79) BCL2BECN1
SCHEMBL23269270 0.81 BCL2 (1.00) BCL2BECN1
SCHEMBL30370125 0.81 BCL2 (0.79) BCL2BECN1
SCHEMBL25417560 0.81 BCL2 (0.58) BCL2BECN1PKMCACNA1H
SCHEMBL30370413 0.81 BCL2 (0.80) 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
WO-2007038425-A2 ANTI-VIRAL COMPOUINDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-05 — — WO disclosed
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