SCHEMBL8074486

SCHEMBL8074486

O=C(O)CC1(Br)C=c2ccccc2=N1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 2/20 0.31
TSHR P16473 1/20 0.31
AKR1B1 P15121 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL7270073 0.77 PKM (0.37) PKMKMT2AHSD11B1TSHRAKR1B1
SCHEMBL1847048 0.77 PKM (0.37) PKMKMT2AHSD11B1TSHRAKR1B1
SCHEMBL31202874 0.75 PKM (0.42) PKMKMT2AHSD11B1TSHR
SCHEMBL31567994 0.74
SCHEMBL9457719 0.73 PKM (0.34) PKMKMT2ATSHR
SCHEMBL6688749 0.69 THRB (0.31) TSHRALDH1A1
SCHEMBL10783455 0.67 L3MBTL1 (0.32)
SCHEMBL9752038 0.67
SCHEMBL10933793 0.67 APEX1 (0.38) PKMKMT2ATSHRALDH1A1
SCHEMBL9469517 0.66 PKM (0.38) PKMKMT2AHSD11B1TSHRAKR1B1

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
JP-2000247976-A CONSTRUCTION OF INDOLOCARBAZOLE SKELETON JAPAN SCIENCE & TECHNOLOGY CORP 2000-09-12 JP disclosed