SCHEMBL6995887

SCHEMBL6995887

CCC(C)(O)Nc1nc(SCc2ccccc2)nc2nc(NCC3CCCO3)sc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CX3CR1 P49238 9/20 0.42
CXCR2 P25025 8/20 0.42
PAK4 O96013 2/20 0.41
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 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
SCHEMBL6866077 0.89 CXCR2 (0.51) NPC1POLBRAB9ASMN1; SMN2CX3CR1
SCHEMBL6865674 0.83 CXCR2 (0.62) CX3CR1CXCR2
SCHEMBL6865997 0.83 CXCR2 (0.61) CX3CR1CXCR2ALDH1A1MEN1KMT2A
SCHEMBL6859474 0.81 PAK4 (0.53) NPC1POLBRAB9ASMN1; SMN2CXCR2
SCHEMBL6868059 0.80 CX3CR1 (0.63) CX3CR1CXCR2
SCHEMBL6864151 0.80 CX3CR1 (0.51) NPC1POLBRAB9ASMN1; SMN2CX3CR1
SCHEMBL6869027 0.73 CXCR2 (0.61) CX3CR1CXCR2PAK4
SCHEMBL6999221 0.71 CX3CR1 (0.46) CX3CR1CXCR2PAK4TSHRNPSR1
SCHEMBL6866690 0.71 CXCR2 (0.61) CX3CR1CXCR2PAK4
SCHEMBL6864160 0.70 CXCR2 (0.56) CX3CR1CXCR2PAK4

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