SCHEMBL27285262

SCHEMBL27285262

O=[S+]CCc1c(C(=O)c2cnoc2C2CC2)ccc(Cl)c1Br

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL27308461 0.88 DHODH (0.34) DHODHMEN1KMT2A
SCHEMBL27294089 0.83 PDE2A (0.32)
SCHEMBL27293226 0.83 DHODH (0.33) DHODH
SCHEMBL7576312 0.82 DHODH (0.32) DHODHMEN1KMT2A
SCHEMBL27297937 0.82 DHODH (0.33) DHODH
SCHEMBL7573255 0.81 DHODH (0.32) DHODHMEN1KMT2A
SCHEMBL7577500 0.81 PDE2A (0.32) DHODHMEN1KMT2A
SCHEMBL9115069 0.81 DHODH (0.37) DHODHMEN1KMT2A
SCHEMBL27326177 0.80 DHODH (0.33) DHODH
SCHEMBL27286394 0.80 DHODH (0.33) DHODH

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
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN claimed
CN-1091739-A Weedicide PHONE POULENC AGRICULTURE LIMI (GB) 1994-09-07 CN claimed
CN-1039229-C Herbicides PHONE POULENC AGRICULTURE LTD (GB) 1998-07-22 CN disclosed