SCHEMBL9535573

SCHEMBL9535573

Cc1cc(C)c(C2C(=O)C3CCCCN3C2=O)cc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.33
PARP1 P09874 2/20 0.32
ALDH1A1 P00352 1/20 0.31
CDK5 Q00535 1/20 0.31
DYRK1A Q13627 1/20 0.31
CDK5R1 Q15078 1/20 0.31

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
SCHEMBL8571183 0.79 KMT2A (0.42) KMT2APOLBPARP1ALDH1A1CDK5
SCHEMBL8575944 0.75 KMT2A (0.46) KMT2APOLBALDH1A1
SCHEMBL9537022 0.73 CNR1 (0.46) ALDH1A1
SCHEMBL3603694 0.69 KMT2A (0.40) KMT2APOLBALDH1A1
SCHEMBL9536702 0.68 SMN1; SMN2 (0.39) KMT2APOLBALDH1A1CDK5CDK5R1
SCHEMBL5451185 0.64 KMT2A (0.39) KMT2APOLBALDH1A1
SCHEMBL12718333 0.63 HTR2C (0.43) CDK5DYRK1ACDK5R1
SCHEMBL5929382 0.62 ALDH1A1 (0.37) KMT2APOLBALDH1A1
SCHEMBL6468219 0.61 KMT2A (0.47) KMT2APOLBALDH1A1
SCHEMBL6365121 0.61 KMT2A (0.47) KMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355599-B1 3-ARYL-PYRROLIDINE-2,4-DIONES BAYER AG (DE) 1993-05-19 EP disclosed
US-5142065-A Intermediates for herbicides, fungicides, miticides and insecticides BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed