SCHEMBL5223723

SCHEMBL5223723

NC(=O)c1ccc(N2CCC(NC(=O)O)CC2)nc1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.65
JAK2 O60674 1/20 0.56
JAK1 P23458 1/20 0.56
JAK3 P52333 1/20 0.56
USP30 Q70CQ3 2/20 0.52
KDM1A O60341 1/20 0.52
HPGDS O60760 4/20 0.50
SMO Q99835 1/20 0.47

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
SCHEMBL13360583 0.85 HRH3 (0.64) HRH3JAK2JAK1JAK3USP30
SCHEMBL2145523 0.85 HRH3 (0.48) HRH3USP30HPGDS
SCHEMBL1978278 0.82 HRH3 (0.56) HRH3JAK2JAK1JAK3USP30
SCHEMBL21551734 0.82 DEGS1 (0.49) HRH3USP30HPGDSSMO
SCHEMBL6139686 0.82 HRH3 (0.60) HRH3JAK2JAK1JAK3USP30
SCHEMBL6140027 0.82 HRH3 (0.58) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL14843687 0.82 HRH3 (0.58) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL30754007 0.82 HRH3 (0.58) HRH3JAK2JAK1JAK3KDM1A
SCHEMBL2006084 0.81 DEGS1 (0.51) HRH3SMO
SCHEMBL1999758 0.81 HRH3 (0.51) HRH3USP30HPGDSSMO

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-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed