SCHEMBL7000799

SCHEMBL7000799

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.37
CXCR1 P25024 1/20 0.37
HTT P42858 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.33
MAPT P10636 5/20 0.32
LMNA P02545 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
SCN9A Q15858 2/20 0.31
SCN5A Q14524 1/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6859486 0.76 HTT (0.40) CXCR2CXCR1HTTALDH1A1MAPK1
SCHEMBL6859513 0.72 CXCR2 (0.65) CXCR2CXCR1SMN1; SMN2SCN9ASCN5A
SCHEMBL4227284 0.65 MAPT (0.45) CXCR2HTTALDH1A1MAPK1MAPT
SCHEMBL6864235 0.63 CXCR2 (0.48) CXCR2CXCR1SMN1; SMN2SCN9ASCN5A
SCHEMBL6866177 0.61 CXCR2 (0.46) CXCR2HTTALDH1A1MAPTLMNA
SCHEMBL11880674 0.58 ALDH1A1 (0.47) HTTALDH1A1MAPTLMNANPC1
SCHEMBL6866004 0.57 CXCR2 (0.65) CXCR2CXCR1ALDH1A1SMN1; SMN2SCN9A
SCHEMBL1787273 0.57 ALDH1A1 (0.39) HTTALDH1A1MAPK1MAPTLMNA
SCHEMBL5014492 0.56 ALDH1A1 (0.41) ALDH1A1MAPTLMNATP53HPGD
SCHEMBL19216330 0.56 RAB9A (0.71) HTTALDH1A1MAPTLMNASMN1; SMN2

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