SCHEMBL29076099

SCHEMBL29076099

C#CC(SC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ F2 P00734 1/20 0.33
▸ TAAR1 Q96RJ0 2/20 0.32
▸ TRPA1 O75762 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HRH1 P35367 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10577504 0.81 TSHR (0.36) DPP4TSHRF2TAAR1TRPA1
SCHEMBL9049616 0.79 PTGS1 (0.53) TSHRMAOBCYP2D6
SCHEMBL9493266 0.77 TSHR (0.46) MIFDPP4TSHRF2TRPA1
SCHEMBL10404000 0.77 MIF (0.42) MIFDPP4TSHRF2TAAR1
SCHEMBL10402172 0.77 MAP2K7 (0.37) MIFDPP4TSHRF2LMNA
SCHEMBL10577509 0.76 DPP4 (0.32) DPP4TSHRF2TAAR1TRPA1
SCHEMBL16569811 0.71 LMNA (0.35) LMNACYP2D6TDP1
SCHEMBL3956655 0.69 TSHR (0.46) DPP4TSHRF2TAAR1HTR2A
SCHEMBL28385338 0.69 DPP4 (0.38) MIFDPP4TSHRF2TAAR1
SCHEMBL185790 0.69 MIF (0.41) MIFDPP4TSHRF2TAAR1

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
CN-116789604-A 1,3, 4-substituted 2-thioether pyridazine derivative and preparation method thereof 浙大城市学院 2023-09-22 — — CN disclosed
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