SCHEMBL27925994

SCHEMBL27925994

C[Si](C)(C)C=Cc1cccc(N=[N+]=[N-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.34
▸ RAD51 Q06609 1/20 0.34
▸ NOX1 Q9Y5S8 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ CYP1A1 P04798 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP1B1 Q16678 1/20 0.32
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ TUBB4A P04350 1/20 0.31
▸ TUBB P07437 1/20 0.31
▸ TUBA3C P0DPH7 1/20 0.31
▸ TUBA1B P68363 1/20 0.31
▸ TUBA4A P68366 1/20 0.31
▸ TUBB4B P68371 1/20 0.31
▸ TUBB3 Q13509 1/20 0.31
▸ TUBB2A Q13885 1/20 0.31

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
SCHEMBL25398414 0.81 NFE2L2 (0.41) RAD51TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL31087411 0.81 NFE2L2 (0.41) RAD51TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16290051 0.74 ALDH1A1 (0.44) PDE4ARAD51NOX1SIGMAR1CYP1A1
SCHEMBL17870933 0.74 TP53 (0.44) PDE4ARAD51NOX1SIGMAR1CYP1A1
SCHEMBL29203313 0.73 RAD51 (0.34) PDE4ARAD51NOX1SIGMAR1CYP1A1
SCHEMBL16748956 0.72 SIGMAR1 (0.44) PDE4ARAD51NOX1SIGMAR1CYP1A1
SCHEMBL13658551 0.67 HTR3E (0.48) PDE4ANOX1SIGMAR1NPC1CASP3
SCHEMBL28332034 0.67 L3MBTL1 (0.42) NOX1SIGMAR1CYP1A2CA1CA2
SCHEMBL16748957 0.67 PDE4A (0.49) PDE4ARAD51NOX1SIGMAR1CYP1A1
SCHEMBL29127008 0.66 HTR3E (0.47) PDE4ANOX1SIGMAR1NPC1CASP3

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-103172579-A Triazole phenyl amines compound preparation and application TIANJIN INT JOINT ACADEMY BIOTECHNOLOGY & MEDICINE 2013-06-26 — — CN disclosed
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