SCHEMBL4397036

SCHEMBL4397036

Cc1c[c]c2ncc(Br)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 1/20 0.31
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 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
SCHEMBL4397395 0.84 HTT (0.35) SMN1; SMN2HTTKMT2A
SCHEMBL4397674 0.79 PLAU (0.33) SMN1; SMN2HTTKMT2A
SCHEMBL4407094 0.78 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL4402185 0.78 POLB (0.32) HTTNPSR1KMT2A
SCHEMBL4411598 0.78 CCR1 (0.31) CCR1CCR5CCR8
SCHEMBL4397949 0.70
SCHEMBL4399733 0.70 PLAU (0.32) HTT
SCHEMBL4409649 0.68 ALDH1A1 (0.48) SMN1; SMN2HTTALDH1A1MAPTCCR1
SCHEMBL4402445 0.68 CYP2A6 (0.34) SMN1; SMN2HTTKMT2A
SCHEMBL1927708 0.67 SMN1; SMN2 (0.36) SMN1; SMN2HTTALDH1A1MAPTMAPK1

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