SCHEMBL7072480

SCHEMBL7072480

S=C=Nc1ccc2cccc3c2c1C=CC3N=C=S

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR3C1 P04150 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
DRD1 P21728 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
CCR2 P41597 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL83099 0.81 CYP3A4 (0.33) CYP3A4
SCHEMBL29193898 0.77 CYP3A4 (0.31) CYP3A4
SCHEMBL8994166 0.76
SCHEMBL28228911 0.72
SCHEMBL27454769 0.68 ALDH1A1 (0.34) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL7263398 0.67 CYP3A4 (0.40) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL17274422 0.65 HTR6 (0.38)
SCHEMBL7265796 0.64 CYP3A4 (0.31) CYP3A4
SCHEMBL5935478 0.63 ALDH1A1 (0.60) ABCB11ALDH1A1NR3C1CYP1A2CYP3A4
SCHEMBL15055886 0.62 ALDH1A1 (0.30) ALDH1A1CYP1A2CYP3A4HPGDHSD17B10

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-20030119028-A1 Device and methods for enhanced microarray hybridization reactions THE CHILDREN'S HOSPITAL OF PHILADELPHIA 2003-06-26 US disclosed
US-20030099930-A1 Novel method to enhance microarray surface density and hybridization efficiency GRAVES DAVID J (US) 2003-05-29 US disclosed