SCHEMBL6859486

SCHEMBL6859486

CC(C)(C)c1ccc(OCCCSc2nc(=O)c3sc(N)nc3[nH]2)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.38
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
TP53 P04637 4/20 0.35
POLB P06746 3/20 0.35
SCN9A Q15858 2/20 0.35
SCN5A Q14524 1/20 0.35
GRIN2C Q14957 1/20 0.35
MAPT P10636 5/20 0.35
LMNA P02545 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL7000799 0.76 CXCR2 (0.37) HTTALDH1A1MAPK1CXCR1CXCR2
SCHEMBL6859513 0.72 CXCR2 (0.65) CXCR1CXCR2SCN9ASCN5ASMN1; SMN2
SCHEMBL4227284 0.67 MAPT (0.45) HTTALDH1A1MAPK1CXCR2SCN9A
SCHEMBL6866177 0.63 CXCR2 (0.46) HTTALDH1A1CXCR2SCN9AMAPT
SCHEMBL6859610 0.63 CXCR2 (0.46) ALDH1A1CXCR1CXCR2SCN9ASCN5A
SCHEMBL4856058 0.63 KDM4E (0.47) HTTALDH1A1MAPK1MAPTLMNA
SCHEMBL6868880 0.62 CXCR2 (0.47) ALDH1A1CXCR2SCN9AMAPTLMNA
SCHEMBL6866799 0.62 CXCR2 (0.47) ALDH1A1CXCR2POLBSCN9AMAPT
SCHEMBL4236680 0.62 CXCR2 (0.57) ALDH1A1CXCR2TP53MAPTLMNA
SCHEMBL3743378 0.62 MAPT (0.36) ALDH1A1MAPK1TP53POLBSCN9A

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 4 patents. 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 claimed
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP claimed
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
EP-1104425-B1 NOVEL THIAZOLOPYRIMIDINE COMPOUNDS ASTRAZENECA AB (SE) 2003-01-29 EP disclosed