SCHEMBL10333239

SCHEMBL10333239

CN(C)C(=O)S.COc1ccnc(-c2cc([N+](=O)[O-])ccc2O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 6/20 0.42
MAPT P10636 5/20 0.42
MEN1 O00255 4/20 0.42
NPC1 O15118 3/20 0.42
PAX8 Q06710 2/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
THRB P10828 1/20 0.41
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.40
CCR8 P51685 1/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDM4C Q9H3R0 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX12 P18054 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
SCHEMBL10332987 0.91 CCR1 (0.49) KMT2AMAPTMEN1NPC1PAX8
SCHEMBL10333242 0.89 MAPT (0.43) L3MBTL1KMT2AMAPTMEN1NPC1
Dimethylcarbate SCHEMBL10333388 0.83 CCR1 (0.40) L3MBTL1KMT2AMAPTMEN1NPC1
Dimethylcarbate SCHEMBL10333389 0.83 CCR1 (0.40) L3MBTL1KMT2AMAPTMEN1NPC1
SCHEMBL10615153 0.79 CCR1 (0.49) L3MBTL1KMT2AMAPTMEN1NPC1
SCHEMBL7237609 0.78 CCR1 (0.50) L3MBTL1KMT2AMAPTMEN1NPC1
SCHEMBL10333240 0.77 CCR1 (0.40) L3MBTL1KMT2AMAPTMEN1NPC1
SCHEMBL2653522 0.77 CCR1 (0.49) KMT2AMAPTMEN1NPC1CCR1
SCHEMBL23457094 0.72 TSHR (0.52) KMT2AMAPTMEN1NPC1PAX8
SCHEMBL7232304 0.71 CCR1 (0.47) L3MBTL1KMT2AMAPTMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900751-A 2-Pyridinyl-phenyl-sulphinyl-and-phenyl-thio-benzimidazoles having antiflammatory or gastic acid secretion inhibition activity FISONS PLC (GB) 1990-02-13 US disclosed