SCHEMBL9216463

SCHEMBL9216463

COc1ccc(N2C(=O)c3ccccc3C2=O)c(C)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.70
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 3/20 0.54
HPGD P15428 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ESR1 P03372 2/20 0.52
NR1H3 Q13133 4/20 0.52
NR1H2 P55055 2/20 0.51
METAP2 P50579 1/20 0.51
ESR2 Q92731 1/20 0.50
GRM5 P41594 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL11808285 0.84 ESR1 (0.72) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL21538404 0.83 SCN2A (0.50) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL30002385 0.83 SCN2A (0.68) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL3106326 0.83 SCN2A (0.68) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL9235862 0.83 SCN2A (0.68) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL11722390 0.81 SCN2A (0.58) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL6392226 0.81 SCN2A (0.66) SCN2AKMT2AALDH1A1MEN1HPGD
SCHEMBL28665183 0.80 ESR1 (0.56) KMT2AALDH1A1MEN1HPGDKDM4E
SCHEMBL10885032 0.77 CYP3A4 (0.66) SCN2AKMT2AALDH1A1MEN1KDM4E
SCHEMBL11724665 0.77 KMT2A (0.52) SCN2AKMT2AALDH1A1MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384895-B1 2- Or 3-fluorane-dicarboxylic imides, process for their preparation and their use in recording materials CIBA GEIGY AG (CH) 1995-12-06 EP disclosed
US-5066814-A 2-DICARBOXIMIDEFLUORANE OR 3-DICARBOXIMIDEFLUORANE COMPOUNDS CIBA-GEIGY CORPORATION (US) 1991-11-19 US disclosed