SCHEMBL7550690

SCHEMBL7550690

Cc1cc(C)c(N)c(C(=O)c2ccccc2)c1.Cc1cc(C)c(N)c(C(=O)c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
MAPT P10636 3/20 0.50
GAA P10253 1/20 0.50
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
POLB P06746 2/20 0.47
PTGS2 P35354 1/20 0.47
AKR1C3 P42330 1/20 0.46
MAPK14 Q16539 1/20 0.46
CHRM4 P08173 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL4630763 1.00 KDM4E (0.62) KDM4EMAPTGAANPC1MAPK1
SCHEMBL28404299 0.86 MAPT (0.55) KDM4EMAPTGAANPC1MAPK1
SCHEMBL15628211 0.85 MAPT (0.49) MAPTGAANPC1MAPK1HTT
SCHEMBL10396987 0.83 MAPT (0.47) MAPTGAAHTTPOLBMAPK14
SCHEMBL14916404 0.83 MAPT (0.61) KDM4EMAPTGAANPC1MAPK1
SCHEMBL27585830 0.83 MAPT (0.50) KDM4EMAPTGAAPOLBAKR1C3
SCHEMBL29356028 0.80 NPSR1 (0.60) MAPTGAANPC1MAPK1HTT
SCHEMBL305558 0.80 NPSR1 (0.60) MAPTGAANPC1MAPK1HTT
SCHEMBL9748170 0.80 ABCB11 (0.51) MAPTGAAPTGS2LMNA
SCHEMBL15793401 0.79 MAPT (0.50) KDM4EMAPTGAAPOLBAKR1C3

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-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO disclosed