SCHEMBL29654055

SCHEMBL29654055

COC(=O)c1ccc(C(F)(F)F)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 1.00
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P4HB P07237 1/20 0.45
PDK2 Q15119 3/20 0.45
MAPT P10636 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL15392523 1.00 NOTUM (1.00) NOTUMCA12CA1CA2CA7
SCHEMBL17888550 0.89 NOTUM (0.79) NOTUMCA12CA1CA2CA7
SCHEMBL321308 0.88 NOTUM (0.79) NOTUMCA12CA1CA2CA7
SCHEMBL2240131 0.85 NOTUM (0.73) NOTUMCA12CA1CA2CA7
SCHEMBL30882517 0.84 NOTUM (0.73) NOTUMCA12CA1CA2CA7
SCHEMBL1997248 0.84 NOTUM (0.73) NOTUMCA12CA1CA2CA7
SCHEMBL29172050 0.83 NOTUM (0.71) NOTUMCA12CA1CA2CA7
SCHEMBL30882500 0.83 NOTUM (0.71) NOTUMCA12CA1CA2CA7
SCHEMBL22400332 0.82 NOTUM (0.69) NOTUMCA12CA1CA2CA7
SCHEMBL29528597 0.82 NOTUM (0.69) NOTUMCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291191-A1 NOVEL COMPOUNDS COMPRISING A NEW CLASS OF TRANSTHYRETIN LIGANDS FOR TREATMENT OF COMMON AGE-RELATED COMORBIDITIES The Trustees Of Columbia University In The City Of New York (US) 2023-12-20 EP disclosed
WO-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed
WO-2022173904-A1 NOVEL COMPOUNDS COMPRISING A NEW CLASS OF TRANSTHYRETIN LIGANDS FOR TREATMENT OF COMMON AGE-RELATED COMORBIDITIES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2022-08-18 WO disclosed
EP-3284743-B1 HETEROCYCLIC-IMIDAZOLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HUILUN LIFE SCIENCE & TECH CO LTD (CN) 2022-07-06 EP disclosed