SCHEMBL3871577

SCHEMBL3871577

O=C(O)c1nc2cc(Cl)c(F)cc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.55
PIN1 Q13526 2/20 0.50
RHEB Q15382 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
LMNA P02545 1/20 0.49
GRIK1 P39086 1/20 0.49
GRIA1 P42261 1/20 0.49
GRIA2 P42262 1/20 0.49
GRIA3 P42263 1/20 0.49
GRIA4 P48058 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIK2 Q13002 1/20 0.49
GRIK3 Q13003 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIK4 Q16099 1/20 0.49
GRIK5 Q16478 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49

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
SCHEMBL3423810 0.94 RHEB (0.52) EGLN1PIN1RHEBGRIN2DGRIN3B
SCHEMBL4309662 0.86 EGLN1 (0.63) EGLN1PIN1RHEBGRIN2DGRIN3B
SCHEMBL3423120 0.86 PIN1 (0.56) EGLN1PIN1RHEBGRIN2DGRIN3B
SCHEMBL1259840 0.83 EGLN1 (0.46) EGLN1GRIN2DGRIN3BLMNAGRIK1
SCHEMBL17092653 0.81 EGLN1 (0.55) EGLN1PIN1RHEBHRH4HRH3
SCHEMBL5191162 0.77 EGLN1 (0.44) EGLN1RHEBGRIN2DGRIN3BLMNA
SCHEMBL6221832 0.77 HRH4 (0.51) EGLN1HRH4HRH3
SCHEMBL1193135 0.75 MAPT (0.52) EGLN1RHEBGRIN2DGRIN3BLMNA
SCHEMBL523253 0.73 RHEB (0.54) PIN1RHEBLMNAMAPTHRH4
SCHEMBL2243706 0.73 PIN1 (0.66) EGLN1PIN1LMNAHRH4HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010177-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
WO-2007120690-A2 COMBINATION HISTAMINE H1R AND H4R ANTAGONIST THERAPY FOR TREATING PRURITUS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed