SCHEMBL6691038

SCHEMBL6691038

CCCCOc1ccc2c(c1)SC(SN)N2C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ HTR2A P28223 3/20 0.32
▸ HTR2C P28335 3/20 0.32
▸ HTR1B P28222 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA7 P43166 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ S1PR4 O95977 2/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ S1PR5 Q9H228 2/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 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
SCHEMBL6690930 0.90 TSHR (0.33) TSHRHTR2AHTR2CHTR1BHTR2B
SCHEMBL6693788 0.90 MEN1 (0.35) TSHRMAPTMEN1NPC1ALDH1A1
SCHEMBL6692273 0.83 SNCA (0.40) SMN1; SMN2MAPTRAB9AMEN1NPC1
SCHEMBL6691234 0.81 HTR2A (0.32) TSHRHTR2AHTR2CHTR1BHTR2B
SCHEMBL6691232 0.80 MEN1 (0.35) TSHRMAPTMEN1NPC1ALDH1A1
SCHEMBL6690929 0.78 LMNA (0.40) TSHRMAPTALDH1A1GAAL3MBTL1
SCHEMBL6694327 0.75 RAB9A (0.34) TSHRHTR2AHTR2CHTR1BHTR2B
SCHEMBL6697903 0.75 CYP1A2 (0.38) TSHRHTR2BMAPTMEN1ALDH1A1
SCHEMBL6697971 0.75 CYP1A2 (0.38) TSHRHTR2BMAPTMEN1ALDH1A1
SCHEMBL6697887 0.72 HRH3 (0.33) TSHRHTR2AHTR2CHTR1BHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869016-B1 Pneumatic radial tires BRIDGESTONE CORP (JP) 2004-03-03 — — EP disclosed
US-6336486-B1 Pneumatic radical tire having cap base tread BRIDGESTONE CORPORATION (JP) 2002-01-08 — — US disclosed
EP-0869016-A2 Pneumatic radial tires Bridgestone Corporation (JP) 1998-10-07 — — EP disclosed
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