SCHEMBL17993459

SCHEMBL17993459

Nc1ccccc1N1C(=O)c2cc(F)ccc2N(c2ccccc2N)C(=O)c2cc(F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CASP6 P55212 1/20 0.43
PARK7 Q99497 5/20 0.40
CYP3A4 P08684 1/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSPA1A P0DMV8 1/20 0.38
PABPC1 P11940 1/20 0.38
NSD2 O96028 1/20 0.38
AR P10275 1/20 0.37
EGFR P00533 1/20 0.37
CHRM5 P08912 1/20 0.37
POLB P06746 1/20 0.36
TRPA1 O75762 1/20 0.36
IDO1 P14902 2/20 0.36
APAF1 O14727 1/20 0.36

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
SCHEMBL17993493 0.87 SCN2A (0.50) SCN2AGAAMEN1KMT2ACASP6
SCHEMBL19380369 0.82 IDO1 (0.42) SCN2AGAAMEN1KMT2ACASP6
SCHEMBL11305686 0.80 SCN2A (0.60) SCN2AGAAMEN1KMT2ACASP6
SCHEMBL17993495 0.76 LMNA (0.45) SCN2AGAAMEN1KMT2ACASP6
SCHEMBL885606 0.75 SCN2A (0.57) SCN2AGAAMEN1KMT2ACYP3A4
SCHEMBL29395615 0.75 SCN2A (0.57) SCN2AGAAMEN1KMT2ACYP3A4
SCHEMBL7564128 0.74 AR (0.51) GAAMEN1KMT2ACASP6PARK7
SCHEMBL18470136 0.72 KMT2A (0.47) SCN2AGAAMEN1KMT2ACYP3A4
SCHEMBL17993486 0.70 HSPA1A (0.41) SCN2AGAAMEN1KMT2ACASP6
SCHEMBL17993481 0.70 ESR1 (0.48) SCN2AGAAMEN1KMT2ACASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3054498-B1 BISIMIDAZODIAZOCINES IDEMITSU KOSAN CO (JP) 2017-09-20 EP disclosed
WO-2016125110-A1 BISIMIDAZOLODIAZOCINES IDEMITSU KOSAN CO., LTD. (JP) 2016-08-11 WO disclosed
EP-3054498-A1 Bisimidazodiazocines Idemitsu Kosan Co., Ltd. (JP) 2016-08-10 EP disclosed