SCHEMBL9409256

SCHEMBL9409256

Cn1cc(Cc2ccccc2)c(N)nc1=S

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.45
ADCY10 Q96PN6 1/20 0.42
GLA P06280 1/20 0.40
TLR8 Q9NR97 1/20 0.40
DHFR P00374 1/20 0.39
PLA2G7 Q13093 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
EGFR P00533 1/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
HTR6 P50406 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL10575256 0.70 BCL2 (0.48) LTB4RDHFR
SCHEMBL21223649 0.69 CYP3A4 (0.46) LTB4RADORA1
SCHEMBL13740601 0.68 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL9409218 0.68
Hydrochloric Acid SCHEMBL21223749 0.67 CYP3A4 (0.45) LTB4RADORA1
SCHEMBL901543 0.67 TLR8 (0.61) LTB4RADCY10TLR8ADORA2AADORA1
SCHEMBL31346248 0.66 ADORA2A (0.59) ADORA2AADORA1
SCHEMBL5727329 0.66 DHFR (0.49) DHFR
SCHEMBL7007836 0.66 PDE3B (0.49) PLA2G7
SCHEMBL12850750 0.65 GPR84 (0.79) GLAHTR6

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-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP disclosed