SCHEMBL4402445

SCHEMBL4402445

Brc1cnc2[c]cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.34
HTT P42858 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
BIRC5 O15392 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4401093 0.77 CYP2A6 (0.34) CYP2A6HTTSMN1; SMN2
SCHEMBL4397412 0.77 CYP1A2 (0.34) CYP2A6CYP1A2
SCHEMBL16223776 0.77 ALDH1A1 (0.36) HTTSMN1; SMN2
SCHEMBL2889003 0.77 CYP1A2 (0.50) CYP2A6CYP1A2KMT2A
SCHEMBL3824244 0.74 KDM4E (0.47) CYP2A6BIRC5SMN1; SMN2
SCHEMBL4397395 0.74 HTT (0.35) HTTKMT2ASMN1; SMN2
SCHEMBL10321126 0.73 CYP1A2 (0.41) CYP2A6CYP1A2CYP2C19
SCHEMBL4399735 0.72 PDGFRB (0.56) CYP2A6CYP1A2CYP2C19KMT2A
SCHEMBL28904201 0.69 DYRK1A (0.40) HTTKMT2ABIRC5
SCHEMBL27202903 0.69 HTT (0.32) HTTKMT2ASMN1; SMN2

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
EP-1817309-B1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-12-23 EP claimed