SCHEMBL30543403

SCHEMBL30543403

Clc1ccc2c(c1)C(c1c[nH]cn1)CCO2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.58
MAP3K14 Q99558 2/20 0.40
TERT O14746 1/20 0.35
MAOB P27338 4/20 0.34
MAOA P21397 2/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
MET P08581 1/20 0.32
PIM1 P11309 1/20 0.32
MAP2K2 P36507 1/20 0.32
CDK8 P49336 1/20 0.32
MAP4K2 Q12851 1/20 0.32

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
SCHEMBL29222936 1.00 ADRA2A (0.58) ADRA2AMAP3K14TERTMAOBMAOA
SCHEMBL29222702 0.84 ADRA2A (0.58) ADRA2A
SCHEMBL5827525 0.84 ADRA2A (0.41) ADRA2AJAK2JAK3
SCHEMBL30543425 0.84 ADRA2A (0.58) ADRA2A
SCHEMBL30543393 0.84 ADRA2A (0.58) ADRA2AMAOBMAOA
SCHEMBL29222642 0.84 ADRA2A (0.58) ADRA2AMAOBMAOA
SCHEMBL29222605 0.81 PIK3CA (0.39) ADRA2A
SCHEMBL29222699 0.76 ADRA2A (0.58) ADRA2AMAP3K14MAOBMAOA
SCHEMBL29222640 0.76 ADRA2A (0.58) ADRA2AJAK2JAK3
SCHEMBL6174442 0.75 RAB9A (0.43)

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
CN-116496261-A 4- (1H) -imidazole derivative and medical application thereof 中国人民解放军军事科学院军事医学研究院 2023-07-28 CN disclosed