SCHEMBL6003629

SCHEMBL6003629

Nc1nc(-c2nccs2)sc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.46
HSP90AA1 P07900 1/20 0.46
ADORA1 P30542 10/20 0.45
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NOS1 P29475 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDPK1 O15530 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RAB9A P51151 1/20 0.36
TGFBR1 P36897 1/20 0.35
CYP2A6 P11509 1/20 0.35
ADORA3 P0DMS8 4/20 0.35
ADORA2B P29275 4/20 0.35
METAP1 P53582 1/20 0.34
CHEK2 O96017 1/20 0.33

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
SCHEMBL18502829 0.75 HDAC1 (0.46) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL102331 0.75 PDPK1 (0.59) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL1523918 0.74 PDPK1 (0.56) ADORA2AHSP90AA1ADORA1ALDH1A1PDPK1
SCHEMBL28154527 0.72 PDPK1 (0.56) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL30632310 0.72 PDPK1 (0.56) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL31556353 0.72 PDPK1 (0.56) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL30534095 0.72 PDPK1 (0.56) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL5154060 0.71 TGFBR1 (0.50) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL18675868 0.69 HSP90AA1 (0.47) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR
SCHEMBL17101464 0.69 ALDH1A1 (0.50) ADORA2AHSP90AA1ADORA1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US claimed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US claimed
US-7092608-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-08-15 US disclosed
US-7082244-B2 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-25 US disclosed
US-20060159413-A1 POLYIMIDE OPTICAL MATERIALS, POLYIMIDE PRECURSOR SOLUTIONS AND OPTICAL WAVEGUIDE ELEMENTS KABUSHIKI KAISHA TOSHIBA (JP) 2006-07-20 US disclosed
US-20040197064-A1 Polyimide optical materials, polyimide precursor solutions and optical waveguide elements KABUSHIKI KAISHA TOSHIBA (JP) 2004-10-07 US disclosed