SCHEMBL11216623

SCHEMBL11216623

CCOC(=O)C1=C(C)C(c2ccccc2)C=N1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 4/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 3/20 0.46
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAPK1 P28482 1/20 0.43
DHFR P00374 2/20 0.43
SIRT3 Q9NTG7 1/20 0.43

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
SCHEMBL10346121 0.76 KDM4E (0.58) CACNA1DKDM4EGAATSHRMAPT
SCHEMBL319740 0.71 MAPT (0.44) CACNA1DKDM4EGAATSHRMAPT
SCHEMBL9871687 0.68 CACNA1D (0.59) CACNA1DKDM4EGAATSHRMAPT
SCHEMBL10743877 0.68 SMN1; SMN2 (0.73) CACNA1DKDM4ETSHRMAPTSMN1; SMN2
SCHEMBL18503109 0.68 TSHR (0.49) KDM4EGAATSHRMAPTSMN1; SMN2
Ethyl Benzoate SCHEMBL25388294 0.67 LMNA (0.70) GAATSHRMAPTSMN1; SMN2MEN1
Diethyl Phthalate SCHEMBL28775845 0.67 TSHR (0.95) KDM4ETSHRKMT2AALDH1A1MAPK1
Diethyl Phthalate SCHEMBL19252611 0.67 TSHR (0.95) KDM4ETSHRKMT2AALDH1A1MAPK1
Ethyl Benzoate SCHEMBL55674 0.67 LMNA (0.70) GAATSHRMAPTSMN1; SMN2MEN1
Ethyl Benzoate SCHEMBL2762273 0.67 LMNA (0.70) GAATSHRMAPTSMN1; SMN2MEN1

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
EP-0022087-B1 STABILIZERS FOR THERMOPLASTS THAT CONTAIN CHLORINE CIBA-GEIGY AG (CH) 1983-11-23 EP claimed