SCHEMBL10689754

SCHEMBL10689754

CNCc1cccc2c(Br)csc12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.44
LTA4H P09960 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
LMNA P02545 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A3 Q01959 4/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 1/20 0.32
TBXAS1 P24557 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PRMT6 Q96LA8 3/20 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
SCHEMBL10686690 0.83 IFNAR1 (0.44) IFNAR1LTA4HLMNARECQLSMN1; SMN2
SCHEMBL9052072 0.81 IFNAR1 (0.43) IFNAR1LTA4HTAAR1LMNARECQL
SCHEMBL10689257 0.81 CYP2A6 (0.44) IFNAR1LTA4HLMNARECQLSMN1; SMN2
SCHEMBL10693094 0.79 IFNAR1 (0.44) IFNAR1LTA4HLMNARECQLSMN1; SMN2
SCHEMBL9775376 0.78 TBXAS1 (0.32) TBXAS1GABRA1GABRB2
SCHEMBL10690724 0.78 CYP2A6 (0.47) IFNAR1LTA4HTAAR1LMNARECQL
SCHEMBL10687797 0.78 IFNAR1 (0.40) IFNAR1LTA4HLMNARECQLSMN1; SMN2
SCHEMBL12281436 0.77 CYP2A6 (0.44) TAAR1TBXAS1GABRA1GABRB2
SCHEMBL1539224 0.76 SMN1; SMN2 (0.35) LTA4HSMN1; SMN2POLB
SCHEMBL16237896 0.71 PSMB8 (0.36)

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
US-4737516-A FUNGICIDES SANDOZ LTD. (CH) 1988-04-12 US disclosed