SCHEMBL9287368

SCHEMBL9287368

C=CCOS(=O)(=O)c1cccc2c(N(C)C)cccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.54
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ HIF1A Q16665 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KMT2A Q03164 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ EDNRA P25101 9/20 0.48
▸ F2 P00734 3/20 0.47
▸ PRSS1 P07477 3/20 0.47
▸ PRSS2 P07478 3/20 0.47
▸ PRSS3 P35030 3/20 0.47
▸ TGM2 P21980 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ NSD2 O96028 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL11888406 0.82 CYP1A2 (0.61) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9674671 0.79 CA2 (0.63) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL5444521 0.79 CA2 (0.46) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL31296 0.78 CA1 (0.47) CA2CYP1A2CYP2C19KMT2AATM
SCHEMBL12200891 0.78 CYP1A2 (0.56) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL12603022 0.77 CA2 (0.65) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL2220406 0.77 CA2 (0.52) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL13609012 0.77 CYP1A2 (0.55) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL1645476 0.77 CA2 (0.52) CA2CYP1A2CYP2C19HTTHIF1A
SCHEMBL9427939 0.77 CA1 (0.46) CA2CYP1A2CYP2C19KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5434276-A Process for making N-acyl taurides FINETEX, INC. (US) 1995-07-18 — — US disclosed
WO-1995018095-A1 PROCESS FOR MAKING N-ACYL TAURIDES FINETEX, INC. (US) 1995-07-06 — — WO disclosed
Send feedback