SCHEMBL7263398

SCHEMBL7263398

S=C=Nc1ccc2cccc3c2c1C=CC3

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ABCB11 O95342 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NR3C1 P04150 1/20 0.40
CYP1A2 P05177 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOA P21397 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
CCR2 P41597 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.35

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
SCHEMBL28942419 0.85 CYP3A4 (0.36) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL27326042 0.85 CYP3A4 (0.35) CYP3A4TSHR
SCHEMBL10752601 0.78 CYP3A4 (0.39) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL10542837 0.75 TSHR (0.43) CYP3A4ALDH1A1CYP1A2HPGDALOX15
SCHEMBL1082849 0.75 CYP3A4 (0.37) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL25429169 0.72 TSHR (0.41) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL3948797 0.72 CYP3A4 (0.41) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL8929992 0.72 CYP3A4 (0.41) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL23546524 0.72 CYP3A4 (0.41) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL20377849 0.72 CYP3A4 (0.41) CYP3A4ALDH1A1CYP1A2HPGDHSD17B10

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
WO-2012160584-A1 DEVICE AND SINGLE-MOLECULE ANALYSIS METHOD BY MEANS OF DETECTION OF THE COLLISIONS OF A TARGET MOLECULE ON FUNCTIONALIZED NANOPORES UNIVERSITÀ DEGLI STUDI DI GENOVA (IT) 2012-11-29 WO disclosed
EP-1301625-A2 NANOPARTICLES HAVING OLIGONUCLEOTIDES ATTACHED THERETO AND USES THEREFOR Nanosphere, Inc. (US) 2003-04-16 EP disclosed
WO-2001073123-A2 NANOPARTICLES HAVING OLIGONUCLEOTIDES ATTACHED THERETO AND USES THEREFOR NANOSPHERE INC. (US) 2001-10-04 WO disclosed