SCHEMBL9536702

SCHEMBL9536702

O=C1C(c2c(Cl)cccc2Cl)C(=O)N2CCCCC12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.37
AADAT Q8N5Z0 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
NSD2 O96028 1/20 0.35
HPGD P15428 1/20 0.35
CHRNA7 P36544 2/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL9537022 0.79 CNR1 (0.46) ALDH1A1TSHR
SCHEMBL8571183 0.73 KMT2A (0.42) ALDH1A1KMT2AMEN1POLBCDK5
SCHEMBL8950185 0.73 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1AADATKMT2AMEN1
SCHEMBL5929382 0.70 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1AADATKMT2AMEN1
SCHEMBL10760700 0.69 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL8575944 0.69 KMT2A (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1POLB
SCHEMBL9535573 0.68 KMT2A (0.36) ALDH1A1KMT2APOLBCDK5CDK5R1
SCHEMBL13879486 0.67 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1POLBTSHR
SCHEMBL10377781 0.66 HRH3 (0.43) SMN1; SMN2ALDH1A1HPGD
SCHEMBL11886903 0.65 KDM4E (0.37) ALDH1A1KMT2AMEN1HPGDCDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2111773-A None JP disclosed
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-5091537-A Acylamino acid ester derivatives; insecticide, fungicide, herbicide, acaricide, and antimycotic agent BAYER AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
US-4985063-A INSECTICIDES, MITICIDES, HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1991-01-15 US disclosed
JP-H02111773-A 3-ARYLPYRROLIDINE-2,4-DIONE (E) DERIVATIVE BAYER AG 1990-04-24 JP disclosed
EP-0355599-A1 3-Aryl-pyrrolidine-2,4-diones BAYER AG (DE) 1990-02-28 EP disclosed