SCHEMBL9052072

SCHEMBL9052072

CNCc1cccc2c(Cl)csc12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IFNAR1 P17181 1/20 0.43
SLC6A4 P31645 11/20 0.41
SLC6A2 P23975 9/20 0.41
SLC6A3 Q01959 8/20 0.41
LTA4H P09960 1/20 0.38
KCNH2 Q12809 4/20 0.37
HTR2A P28223 3/20 0.37
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
MPO P05164 1/20 0.32
TPO P07202 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL10689754 0.81 IFNAR1 (0.44) IFNAR1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL10686690 0.81 IFNAR1 (0.44) IFNAR1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL10689257 0.80 CYP2A6 (0.44) IFNAR1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL10693094 0.78 IFNAR1 (0.44) IFNAR1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL8583983 0.77 CYP1A2 (0.33) TBXAS1
SCHEMBL10690724 0.76 CYP2A6 (0.47) IFNAR1SLC6A4SLC6A2SLC6A3LTA4H
SCHEMBL10687797 0.76 IFNAR1 (0.40) IFNAR1LTA4HLMNARECQLSMN1; SMN2
SCHEMBL10691719 0.71 CYP2A6 (0.42)
SCHEMBL3001718 0.69 PNMT (0.56) SLC6A4SLC6A2SLC6A3KCNH2HTR2A
SCHEMBL8581385 0.68 CYP2D6 (0.41) SLC6A4SLC6A2SLC6A3KCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421302-B1 Process for producing enyne derivatives BANYU PHARMA CO LTD (JP) 1996-06-26 EP disclosed
US-5440049-A Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5436354-A Intermediates for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-07-25 US disclosed
EP-0645369-A2 Process for producing enyne Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-03-29 EP disclosed
US-5359091-A Intermediates for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
US-5296612-A Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
US-5231183-A Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-07-27 US disclosed
EP-0421302-A2 Process for producing enyne derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1991-04-10 EP disclosed
US-4737516-A FUNGICIDES SANDOZ LTD. (CH) 1988-04-12 US disclosed