SCHEMBL10404000

SCHEMBL10404000

CSC([C]=S)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 3/20 0.42
▸ 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
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ CYP2D6 P10635 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
SCHEMBL29076099 0.77 MIF (0.33) MIFDPP4TSHRF2TAAR1
SCHEMBL9493266 0.77 TSHR (0.46) MIFDPP4TSHRF2TRPA1
SCHEMBL10402172 0.77 MAP2K7 (0.37) MIFDPP4TSHRF2LMNA
SCHEMBL20809867 0.70 KMT2A (0.44) DPP4TSHRF2TAAR1HRH1
SCHEMBL1145689 0.70 KMT2A (0.44) DPP4TSHRF2TAAR1HRH1
SCHEMBL14535430 0.70 KMT2A (0.44) DPP4TSHRF2TAAR1HRH1
SCHEMBL3956655 0.69 TSHR (0.46) DPP4TSHRF2TAAR1HTR2A
SCHEMBL10404165 0.69 DPP4 (0.50) MIFDPP4F2TAAR1HTR2A
SCHEMBL7494289 0.69 MIF (0.52) MIFDPP4TSHRF2TAAR1
SCHEMBL9681031 0.69 TAAR1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 — — US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 — — EP disclosed
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