SCHEMBL6689028

SCHEMBL6689028

CCCOc1cccc2sc(SSc3nc4c(OCCC)cccc4s3)nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 4/20 0.48
TDP1 Q9NUW8 3/20 0.48
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 1/20 0.48
MCHR1 Q99705 4/20 0.48
CYP3A4 P08684 1/20 0.41
FBP1 P09467 2/20 0.40
HPGD P15428 2/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
DRD2 P14416 1/20 0.40
ALOX15 P16050 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
DRD1 P21728 1/20 0.40
MC5R P33032 1/20 0.40

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
SCHEMBL6690900 0.93 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6689165 0.88 ALDH1A1 (0.66) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6899949 0.84 ALDH1A1 (0.50) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6689073 0.83 KMT2A (0.44) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6691012 0.82 ALDH1A1 (0.54) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6693695 0.80 ALDH1A1 (0.63) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6898848 0.79 ALDH1A1 (0.66) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6694180 0.79 KMT2A (0.45) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6688605 0.78 ALDH1A1 (0.54) ALDH1A1KMT2ATDP1KDM4EMEN1
SCHEMBL6691552 0.78 ALDH1A1 (0.40) ALDH1A1KMT2ATDP1KDM4EMEN1

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