SCHEMBL8891640

SCHEMBL8891640

CCC(=O)NNC(=O)NC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 2/20 0.41
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 3/20 0.36
CYP2C9 P11712 1/20 0.34
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FFAR3 O14843 1/20 0.32
MAPK1 P28482 1/20 0.31
CCR6 P51684 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL1169137 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EPKM
SCHEMBL5117928 0.80 CYP2C19 (0.52) ALDH1A1MAPTKDM4EPKMMEN1
SCHEMBL8642153 0.80 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EKMT2A
SCHEMBL15778117 0.79 MCL1 (0.32) ALDH1A1SMN1; SMN2KDM4ELMNARECQL
SCHEMBL30909396 0.77 MEN1 (0.42) ALDH1A1SMN1; SMN2MAPTKDM4EPKM
SCHEMBL22074237 0.77 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4EPKM
SCHEMBL10578591 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTKDM4EPKM
SCHEMBL1709868 0.76
SCHEMBL711913 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKDM4EPKM
SCHEMBL2242250 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5625074-A Sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed
US-5532378-A Sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-07-02 US disclosed
EP-0341489-B1 Sulfonyl amino carbonyl triazolinones BAYER AG (DE) 1995-08-23 EP disclosed
US-5405970-A Unique chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1995-04-11 US disclosed
US-5241074-A Hherbicides BAYER AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5094683-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1992-03-10 US disclosed
US-5057144-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1991-10-15 US disclosed
EP-0341489-A1 Sulfonyl amino carbonyl triazolinones BAYER AG (DE) 1989-11-15 EP disclosed