SCHEMBL16239248

SCHEMBL16239248

N#Cc1ccccc1C1OCBCO1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.36
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TBXAS1 P24557 1/20 0.32
MAPK1 P28482 1/20 0.31
DRD4 P21917 1/20 0.31
KDM1A O60341 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
ESR2 Q92731 1/20 0.30
PPIA P62937 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL20592264 0.83 TSHR (0.39) ADRA1ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL29537759 0.73 ADRA1A (0.43) ADRA1ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL1499246 0.73 ADRA1A (0.43) ADRA1ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL4555644 0.72 CYP3A4 (0.35) ALDH1A1
SCHEMBL30403864 0.72 MAPK1 (0.39) ADRA1ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL9562043 0.72 KMT2A (0.45) TSHRSLC6A2SLC6A3KDM1AALDH1A1
SCHEMBL10484118 0.69 GRM2 (0.39) ADRA1ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL23375447 0.69 KDM1A (0.46) SLC6A2SLC6A4SLC6A3MAPK1KDM1A
SCHEMBL14745937 0.69 HTR2C (0.37) ADRA1ATSHRSLC6A2SLC6A4SLC6A3
SCHEMBL29580963 0.69 ADRA1A (0.49) ADRA1ATSHRDRD4KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889864-B2 Metal complexes of cyclometallated imidazo[1,2-f]phenanthridine and diimidazo[1,2-a:1′,2′-c]quinazoline ligands and isoelectronic and benzannulated analogs thereof UNIVERSAL DISPLAY CORPORATION (US) 2014-11-18 US disclosed