SCHEMBL22739234

SCHEMBL22739234

CC/C(C[C@@H](C)N(C)C(=O)c1ccc(Cl)c(Cl)c1)=N\N(C)CCN

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.40
▸ KMO O15229 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ SLC6A3 Q01959 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 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
SCHEMBL22739361 0.87 TSHR (0.39) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL22739243 0.71 TSHR (0.35) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL22727452 0.70 TSHR (0.54) TSHRHPGDHSP90AA1HSP90AB1LMNA
SCHEMBL22727569 0.66 TSHR (0.43) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL3365999 0.66 TSHR (0.52) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL22727335 0.65 TSHR (0.44) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11785050 0.64 TSHR (0.55) TSHRHPGDSLC6A4SLC6A3SLC6A2
SCHEMBL11782048 0.64 TSHR (0.54) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL11782487 0.64 TSHR (0.50) TSHRKMOHPGDSLC6A4SLC6A3
SCHEMBL11783170 0.64 TSHR (0.54) TSHRKMOHPGDSLC6A4SLC6A3

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
WO-2020243142-A1 FUSED HETEROCYCLIC DERIVATIVES AS ANTIVIRAL AGENTS Janssen Sciences Ireland Unlimited Company (IE) 2020-12-03 — — WO disclosed
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