SCHEMBL28287779

SCHEMBL28287779

[O]Cc1cc(Cl)ccc1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.39
CYP3A4 P08684 3/20 0.39
HIF1A Q16665 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
KMT2A Q03164 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
BLM P54132 1/20 0.39
HSPE1 P61604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30089455 0.86 IDO1 (0.44) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL384040 0.86 IDO1 (0.44) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL14785481 0.83 IDO1 (0.39) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL15653972 0.83 IDO1 (0.39) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL15653568 0.80 IDO1 (0.40) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL15652441 0.78 IDO1 (0.39) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL28972047 0.78 IDO1 (0.39) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL3060775 0.76 KEAP1 (0.49) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL1995097 0.76 IDO1 (0.40) IDO1CYP3A4HIF1AMAPTMEN1
SCHEMBL15653105 0.76 IDO1 (0.40) IDO1CYP3A4HIF1AMAPTMEN1

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
CN-106232585-B Triaizine compounds and its medicinal usage 日本烟草产业株式会社 2019-04-02 CN disclosed