SCHEMBL29627858

SCHEMBL29627858

COC(=O)c1cccc(Br)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ PDK1 Q15118 1/20 0.48
▸ PDK2 Q15119 1/20 0.48
▸ PDK3 Q15120 1/20 0.48
▸ PDK4 Q16654 1/20 0.48
▸ SLC6A3 Q01959 2/20 0.47
▸ SLC6A4 P31645 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ CFTR P13569 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ CA5A P35218 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ MIF P14174 1/20 0.45
▸ KMT2A Q03164 2/20 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
SCHEMBL2730695 1.00 LMNA (0.48) LMNATSHRPDK1PDK2PDK3
SCHEMBL19923181 0.85 SLC6A3 (0.59) LMNATSHRPDK1PDK2PDK3
SCHEMBL7625221 0.81 PDK1 (0.51) LMNATSHRPDK1PDK2PDK3
SCHEMBL29279663 0.81 TSHR (0.52) LMNATSHRSLC6A3ALDH1A1CFTR
SCHEMBL993113 0.81 TSHR (0.59) LMNATSHRPDK1PDK2PDK3
SCHEMBL28259053 0.81 MEN1 (0.44) TSHRPDK1PDK2PDK3PDK4
SCHEMBL27797134 0.81 TSHR (0.59) TSHRPDK2ALDH1A1HSD17B10CA1
SCHEMBL29433258 0.80 TSHR (0.61) LMNATSHRSLC6A3ALDH1A1CFTR
SCHEMBL23659 0.80 TSHR (0.61) LMNATSHRSLC6A3ALDH1A1CFTR
SCHEMBL2196615 0.79 PTGS2 (0.55) LMNATSHRPDK1PDK2PDK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4126860-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2023-02-08 — — EP disclosed
EP-3994137-A1 HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-05-11 — — EP disclosed
Send feedback