SCHEMBL29975842

SCHEMBL29975842

COc1cc(CBr)ccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.67
LOX P28300 3/20 0.67
FFAR1 O14842 1/20 0.39
CDK2 P24941 2/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
GSK3B P49841 3/20 0.36
GSK3A P49840 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
SLC13A5 Q86YT5 1/20 0.35
ACACB O00763 1/20 0.35
GRM2 Q14416 1/20 0.35
DYRK1A Q13627 1/20 0.35
PLA2G7 Q13093 1/20 0.34
NOS3 P29474 1/20 0.34

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
SCHEMBL17342 1.00 LOXL2 (0.67) LOXL2LOXFFAR1CDK2CDK4
Bromide SCHEMBL13858041 0.98 LOXL2 (0.65) LOXL2LOXFFAR1CDK2CDK4
SCHEMBL14486857 0.85 LOXL2 (0.62) LOXL2LOXFFAR1CDK2CDK4
SCHEMBL31583016 0.85 LOXL2 (0.62) LOXL2LOXFFAR1CDK2CDK4
SCHEMBL31256818 0.82 LOXL2 (0.46) LOXL2LOXCYP4F2CYP4A11ACACB
SCHEMBL2940184 0.82 LOXL2 (0.46) LOXL2LOXCYP4F2CYP4A11ACACB
SCHEMBL15504978 0.82 LOXL2 (0.46) LOXL2LOXCYP4F2CYP4A11ACACB
SCHEMBL805488 0.82 LOXL2 (0.69) LOXL2LOXFFAR1CCR1CCR5
SCHEMBL10375014 0.81 LOXL2 (0.62) LOXL2LOXFFAR1
SCHEMBL449200 0.80 LOXL2 (1.00) LOXL2LOX

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119110800-A Modulators of interferon gene stimulating factor (STING), compositions and methods 健道生物医药有限公司 2024-12-10 CN disclosed
EP-4373809-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS Novartis AG (CH) 2024-05-29 EP disclosed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 CN disclosed