SCHEMBL29888754

SCHEMBL29888754

Fc1ccc(OC(F)F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
ADAM17 P78536 1/20 0.43
DRD1 P21728 2/20 0.36
EPAS1 Q99814 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 2/20 0.35
HSP90AA1 P07900 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
CCR6 P51684 1/20 0.35
MAPT P10636 5/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.34
SLC6A4 P31645 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
SCHEMBL15016881 1.00 ALOX15 (0.43) ALOX15GFERADAM17DRD1EPAS1
SCHEMBL2014335 0.83 SLC6A4 (0.47) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL29556318 0.83 SLC6A4 (0.47) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL2791543 0.82 ALOX15 (0.51) ALOX15GFERADAM17ALDH1A1LMNA
SCHEMBL31550328 0.82 ALDH1A1 (0.43) ALDH1A1LMNAKMT2APOLBRAB9A
SCHEMBL27795200 0.81 DAO (0.47) ALOX15GFERADAM17ALDH1A1LMNA
SCHEMBL7754601 0.81 ACACB (0.40) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL14596841 0.80 ALOX15 (0.42) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL29518372 0.79 ALOX15 (0.43) ALOX15GFERADAM17DRD1ALDH1A1
SCHEMBL20560951 0.79 ALOX15 (0.43) ALOX15GFERADAM17DRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
EP-4267135-A1 PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-11-01 EP disclosed
CN-116783187-A Preparation of tetrahydroindazole derivatives as novel diacylglycerol O-acyltransferase 2 inhibitors 默沙东有限责任公司 2023-09-19 CN disclosed
CN-115916740-A Thyromimetic agents 速通医疗公司 2023-04-04 CN disclosed
WO-2023002409-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2023-01-26 WO disclosed
CN-115279359-A Novel thyromimetic agents 速通医疗公司 2022-11-01 CN disclosed
WO-2022140169-A1 PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-30 WO disclosed