SCHEMBL22907690

SCHEMBL22907690

O=C1Nc2ccccc2[C@@H]2CC[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
GSK3B P49841 2/20 0.42
ALDH1A1 P00352 3/20 0.42
BRPF1 P55201 1/20 0.41
CREBBP Q92793 1/20 0.41
TDO2 P48775 1/20 0.41
MAPT P10636 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PARP1 P09874 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19985146 1.00 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL7252422 0.92 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL6137734 0.92 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL4763337 0.92 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL4761869 0.92 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL7927054 0.92 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL6642966 0.92 IDO1 (0.45) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL23264408 0.84 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL19696036 0.84 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP
SCHEMBL30839791 0.84 IDO1 (0.47) IDO1GSK3BALDH1A1BRPF1CREBBP

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-3142665-B1 MIF INHIBITORS FOR THE ACUTE OR CHRONIC TREATMENT OF PULMONARY HYPERTENSION APAXEN (BE) 2021-01-20 EP disclosed