SCHEMBL1126653

SCHEMBL1126653

COCCc1[nH]ccc1C1CCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
ADRA1A P35348 1/20 0.34
HTR2A P28223 2/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL28008930 0.73
SCHEMBL9009539 0.70 JAK2 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL9009527 0.70 JAK2 (0.32) JAK2JAK1JAK3
SCHEMBL11481064 0.69 BCHE (0.35) HTR2AJAK2JAK1TYK2JAK3
SCHEMBL1126594 0.67 GABRA1 (0.32) ADRA1A
SCHEMBL8139573 0.62 CCNE1 (0.39) JAK2JAK1TYK2JAK3
SCHEMBL3959146 0.62 LMNA (0.41)
SCHEMBL16655119 0.62 HTR2C (0.36) ALOX5APFEN1JAK2JAK1TYK2
SCHEMBL7400755 0.61 CNR2 (0.44)
SCHEMBL1126656 0.60 KMT2A (0.39)

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed