SCHEMBL6866524

SCHEMBL6866524

Nc1nc2c(s1)c(=O)ncn2SCCOc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 2/20 0.39
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.34
GLA P06280 1/20 0.34
CXCR2 P25025 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL6866526 0.68 KDM4E (0.58) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL1728403 0.59 RAB9A (0.59) L3MBTL1ALDH1A1KMT2AMEN1GAA
SCHEMBL28708338 0.58 KCNA3 (0.58) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL8671561 0.57 KCNA3 (0.64) L3MBTL1ALDH1A1NPC1RAB9ALMNA
SCHEMBL14499849 0.57 KCNA3 (0.64) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL10873329 0.56 PKM (0.50) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL3902195 0.56 ALDH1A1 (0.84) L3MBTL1TDP1ALDH1A1KMT2AMEN1
SCHEMBL11300555 0.56 KCNA3 (0.61) L3MBTL1ALDH1A1NPC1RAB9ALMNA
SCHEMBL57755 0.55 KCNA3 (0.67) ALDH1A1RAB9AMAPT
SCHEMBL7295306 0.55 NPC1 (0.57) L3MBTL1TDP1ALDH1A1KMT2AMEN1

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-6806273-B1 5-THIO-THIAZOLO(4,5-D)PYRIMIDIN-7-YL DERIVATIVES; CHEMOKINE RECEPTOR (ESPECIALLY CXCR2) ACTIVITY MODULATORS ASTRAZENECA AB (SE) 2004-10-19 US disclosed