SCHEMBL9750530

SCHEMBL9750530

NC(=O)N(S)S(=O)(=O)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LOX P28300 1/20 0.38
KAT6A Q92794 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALOX5 P09917 2/20 0.37
C1S P09871 1/20 0.36
MAPK1 P28482 2/20 0.36
PTGER2 P43116 1/20 0.36
LMNA P02545 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL9455586 0.81 PKM (0.39) PKMKDM4EPOLBNPC1RAB9A
SCHEMBL728027 0.72 APOBEC3G (0.48) CA1CA2CA4CA9NFE2L2
SCHEMBL30498943 0.72 TSHR (0.50) PKMKDM4ENPC1RAB9AL3MBTL1
SCHEMBL761373 0.72 TSHR (0.50) PKMKDM4ENPC1RAB9AL3MBTL1
SCHEMBL10679007 0.71 NPC1 (0.43) PKMKDM4ENPC1RAB9AL3MBTL1
SCHEMBL9634028 0.71 ALDH1A1 (0.41) PKMKDM4EPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL28556483 0.71 TSHR (0.49) PKMKDM4ENPC1RAB9AL3MBTL1
SCHEMBL729640 0.70 L3MBTL1 (0.50) PKMKDM4EPOLBL3MBTL1KAT6A
SCHEMBL27542541 0.70 PKM (0.42) PKMKDM4EPOLBNPC1RAB9A
SCHEMBL10002504 0.70 NPC1 (0.54) PKMKDM4EPOLBNPC1RAB9A

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
JP-4211659-A None JP disclosed
JP-H04211659-A NOVEL DERIVATIVE OF PYRIDYLSULFONYLUREA OR PYRIDYLSULFONYLTHIOUREA, ITS PREPARATION AND FORMULATION CONTAINING IT ADIR 1992-08-03 JP disclosed