SCHEMBL9219604

SCHEMBL9219604

N#CC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.57
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CHRNB2 P17787 4/20 0.50
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNA4 P43681 4/20 0.50
HNF4A P41235 1/20 0.48
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SCN1A P35498 1/20 0.42

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
SCHEMBL6263058 0.82 BCAT2 (0.59) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL8517295 0.80 ALDH1A1 (0.46) KMT2ASMN1; SMN2TSHRALDH1A1HTT
SCHEMBL9861790 0.80 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Water SCHEMBL27287652 0.79 HNF4A (0.67) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27825963 0.78 BCAT2 (0.48) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Benzene SCHEMBL1403559 0.76 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL133057 0.76 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5549354 0.76 BCAT2 (0.68) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Benzene SCHEMBL28480917 0.76 HNF4A (0.69) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL3806467 0.76 BCAT2 (0.68) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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
JP-7146571-A None JP disclosed
JP-H07146571-A ELECTROPHOTOGRAPHIC PHOTORECEPTOR MITA IND CO LTD 1995-06-06 JP disclosed
US-5221762-A Reacting a phenol with benzolactone compound; then phosgene or thionyl chloride; esterification with alcohol BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0493711-A1 Process for the preparation of E-oximethers from phenylglyoxylic acid esters BASF Aktiengesellschaft (DE) 1992-07-08 EP disclosed