SCHEMBL14722925

SCHEMBL14722925

CC1(c2cccc(CCBr)n2)OCCO1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
CXCR4 P61073 1/20 0.30

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
SCHEMBL14722744 0.84 KCNH2 (0.33) KCNH2CXCR4
SCHEMBL1166643 0.82 CCR1 (0.33) KCNH2CXCR4
SCHEMBL14586836 0.80 TSHR (0.35)
SCHEMBL876768 0.76 SMN1; SMN2 (0.31)
SCHEMBL14722574 0.74 CCR1 (0.40)
SCHEMBL14732957 0.74 KDM4E (0.41) KCNH2
SCHEMBL1167162 0.74 CYP1A2 (0.34)
SCHEMBL13622417 0.73 SMN1; SMN2 (0.31)
SCHEMBL16416755 0.73 MAPT (0.37)
SCHEMBL1166996 0.71 ALDH1A1 (0.42) CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed
WO-2013026866-A2 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2013-02-28 WO disclosed