SCHEMBL31037092

SCHEMBL31037092

COc1c2cc(O)c3ccccc3c2nn1C(C)C

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MPO P05164 11/20 0.57
▸ EP300 Q09472 1/20 0.39
▸ MYC P01106 1/20 0.36
▸ MAX P61244 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NOX1 Q9Y5S8 1/20 0.32
▸ TRPM4 Q8TD43 1/20 0.32

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
SCHEMBL31037085 0.84 MPO (0.59) MPOPOLBPDE1APDE1BPDE1C
SCHEMBL29402334 0.81 HTT (0.40) MPOMYCMAXPOLBPDE1A
SCHEMBL25300047 0.81 HTT (0.40) MPOMYCMAXPOLBPDE1A
SCHEMBL31037059 0.74 MPO (0.43) MPOEP300POLBPDE1APDE1B
SCHEMBL29405726 0.70 MPO (0.44) MPOPOLBPDE1APDE1BPDE1C
SCHEMBL25254447 0.70 MPO (0.44) MPOPOLBPDE1APDE1BPDE1C
SCHEMBL29404957 0.69 KDM4E (0.42) MPOPOLBPDE1APDE1BPDE1C
SCHEMBL25256662 0.69 KDM4E (0.42) MPOPOLBPDE1APDE1BPDE1C
SCHEMBL25302796 0.66 HTT (0.43) EP300MYCMAXPOLBLMNA
SCHEMBL29404934 0.66 HTT (0.43) EP300MYCMAXPOLBLMNA

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-113454068-B Benzonazolone compounds and intermediates thereof LMITO药业株式会社 2024-08-02 — — CN disclosed
Send feedback