SCHEMBL485827

SCHEMBL485827

O=C(NC1CCCC1)c1sc2ccccc2c1OCc1ccc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
ALOX5 P09917 8/20 0.47
HDAC6 Q9UBN7 1/20 0.47
ALOX5AP P20292 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MCHR1 Q99705 1/20 0.46
CXCR6 O00574 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
Bicarbonate SCHEMBL485659 0.98 ALOX5 (0.48) MAOBALOX5HDAC6ALOX5APNPC1
SCHEMBL486258 0.82 MAOB (0.52) MAOBALOX5ALOX5APNPC1RAB9A
SCHEMBL485404 0.81 CYSLTR1 (0.44) ALOX5APCYSLTR2CYSLTR1
Bicarbonate SCHEMBL485447 0.80 MAOB (0.50) MAOBALOX5ALOX5APNPC1RAB9A
Formic Acid SCHEMBL27693254 0.79 MAOB (0.48) MAOBALOX5ALOX5APNPC1RAB9A
SCHEMBL485707 0.79 ALOX5AP (0.51) ALOX5HDAC6ALOX5APRAB9AMCHR1
SCHEMBL485460 0.78 CXCR2 (0.62) ALOX5APCYSLTR2CYSLTR1
Formic Acid SCHEMBL27693208 0.78 ALOX5AP (0.51) ALOX5HDAC6ALOX5APRAB9AMCHR1
SCHEMBL485499 0.76 CXCR2 (0.49) ALOX5APCYSLTR2CYSLTR1
SCHEMBL486273 0.75 SENP5 (0.56) NPC1RAB9AMEN1ALDH1A1LMNA

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
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 EP claimed