SCHEMBL20829593

SCHEMBL20829593

IC1c2ccccc2-c2nccn2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.32
ADRA2A P08913 3/20 0.31
ADRA1A P35348 3/20 0.31
ADRA1D P25100 2/20 0.31
GPR3 P46089 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL11478349 0.83 SMN1; SMN2 (0.36) CYP19A1ADRA2AADRA1AADRA1DGPR3
SCHEMBL22413506 0.78 ADRA2A (0.32) ADRA2AADRA1AADRA1DGPR3
SCHEMBL20829244 0.72 HTR3E (0.39) GPR3
SCHEMBL11878614 0.72 AKT1 (0.41) ADRA2AADRA1A
SCHEMBL8986485 0.72 ALDH1A1 (0.49) CYP19A1
SCHEMBL11459567 0.72 SMN1; SMN2 (0.39)
SCHEMBL11477886 0.70 MEN1 (0.38)
SCHEMBL11764095 0.69 GAA (0.41) MAPK9MAPK10
SCHEMBL20829586 0.69 IDO1 (0.41)
SCHEMBL11541183 0.68 ALDH1A1 (0.42) GPR3

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-3686201-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
WO-2019052565-A1 INFLUENZA VIRUS REPLICATION INHIBITOR AND USE THEREOF 广东东阳光药业有限公司 2019-03-21 WO disclosed