SCHEMBL7778748

SCHEMBL7778748

C1=C(c2nc3cscc3[nH]2)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 7/20 0.34
PSMB1 P20618 1/20 0.34
ELANE P08246 1/20 0.33
TYMP P19971 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 3/20 0.32
DRD4 P21917 3/20 0.32
DRD3 P35462 3/20 0.32
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
JAK3 P52333 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
SCHEMBL2745183 0.95 PDGFRB (0.32) TYMPDRD2DRD4DRD3
SCHEMBL8733938 0.74 TDP1 (0.37) PSMB5ELANETDP1DRD2DRD4
SCHEMBL2744962 0.73 JAK2 (0.37) PSMB5PSMB1ELANETDP1JAK2
SCHEMBL13197036 0.72 PSMB5 (0.50) PSMB5PSMB1DRD2DRD4DRD3
SCHEMBL2744580 0.67 PTGER1 (0.33) PSMB5PSMB1TDP1JAK2JAK1
SCHEMBL2744834 0.66 PSMB5 (0.40) PSMB5PSMB1TYMPTDP1
SCHEMBL9835819 0.65 PDE3B (0.52) PSMB5PSMB1ELANETYMPDRD2
SCHEMBL9737184 0.64 MAPK13 (0.51)
SCHEMBL8576194 0.61 METAP2 (0.48) TDP1
SCHEMBL296554 0.61 TYMP (0.42) PSMB5PSMB1ELANETYMPTDP1

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-0885251-B1 SUBSTITUTED POLYTHIOPHENES, PROCESSES FOR THEIR PREPARATION AND THEIR USE BASF AG (DE) 2001-08-16 EP disclosed