SCHEMBL19984572

SCHEMBL19984572

N#Cc1ccc(-c2ncc(CNC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCCN3S4)s2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 13/20 0.39
KLKB1 P03952 1/20 0.35
RAB9A P51151 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL19984573 1.00 EGLN1 (0.39) EGLN1KLKB1RAB9APOLBALDH1A1
SCHEMBL19984760 1.00 EGLN1 (0.39) EGLN1KLKB1RAB9APOLBALDH1A1
SCHEMBL24221965 0.87 EGLN1 (0.38) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL21291454 0.87 EGLN1 (0.38) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL21291411 0.87 EGLN1 (0.38) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL21291452 0.86 EGLN1 (0.38) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL19984744 0.85 EGLN1 (0.39) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL21291446 0.84 EGLN1 (0.38) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL19984638 0.81 EGLN1 (0.39) EGLN1KLKB1ALDH1A1MAPTKDM4E
SCHEMBL21291409 0.79 EGLN1 (0.42) EGLN1KLKB1RAB9APOLB

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
WO-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed