SCHEMBL9713825

SCHEMBL9713825

CCNc1ccc(S(=O)(=O)c2ccc(N)cc2)c(C#N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 2/20 0.45
ABCC8 Q09428 2/20 0.45
KCNJ11 Q14654 2/20 0.45
KCNJ8 Q15842 2/20 0.45
CYP2C19 P33261 3/20 0.41
KDM4E B2RXH2 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 1/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
PRMT1 Q99873 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL9713906 0.81 L3MBTL1 (0.43) ABCC9ABCC8KCNJ11KCNJ8CYP2C19
SCHEMBL9713772 0.80 HTR6 (0.50) ABCC9ABCC8KCNJ11KCNJ8CYP2C19
SCHEMBL9713763 0.80 HSD11B1 (0.48) ABCC9ABCC8KCNJ11KCNJ8CYP2C19
SCHEMBL9713943 0.78 CYP2C19 (0.43) CYP2C19CYP3A4CYP2C9L3MBTL1PKM
SCHEMBL9714032 0.77 FFAR4 (0.44) CYP2C19L3MBTL1PKMLMNAHSD11B1
SCHEMBL9714037 0.77 PKM (0.46) CYP2C19CYP3A4CYP2C9L3MBTL1PKM
SCHEMBL9713905 0.77 PKM (0.46) CYP2C19KDM4ECYP3A4CYP2C9L3MBTL1
SCHEMBL9713798 0.75 CDK1 (0.52) CYP2C19KDM4EL3MBTL1PKMALDH1A1
SCHEMBL9587134 0.73 CYP1A2 (0.43) KDM4ECYP3A4POLBMEN1KMT2A
SCHEMBL10692275 0.72 ALDH1A1 (0.57) ABCC9ABCC8KCNJ11KCNJ8CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5084449-A Bactericides and antiprotozoa agents DR. KARL THOMAE GMBH (DE) 1992-01-28 US disclosed
US-4992430-A Anti-bacterial compositions comprising a substituted bis-(4-aminophenyl)-sulfone and a dihydro-folic acid reductase DR. KARL THOMAE GMBH (DE) 1991-02-12 US disclosed
US-4829058-A INHIBITORS OF BACTERIA, MYCOBACTERIA AND PLASMODIA DR. KARL THOMAE GMBH (DE) 1989-05-09 US disclosed