SCHEMBL6990809

SCHEMBL6990809

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNc1c(Nc2cccc(F)c2)c(=O)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SNCA P37840 1/20 0.44
MAPT P10636 5/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
S1PR3 Q99500 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL6981925 0.82 NAMPT (0.50) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6990741 0.80 GABRA5 (0.35) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6989037 0.79 DDR1 (0.43) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL6989465 0.78 NPC1 (0.41) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6983908 0.77 ABCC9 (0.44) MEN1KMT2ANPC1RAB9ASNCA
SCHEMBL6991687 0.76 KMT2A (0.42) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL6986333 0.76 MEN1 (0.48) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL4367794 0.75 GRM5 (0.45) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6990458 0.75 CSF1R (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL6988688 0.75 ABCC9 (0.41) NPC1RAB9ALMNA

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-1358160-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2003-11-05 EP claimed
WO-2002062761-A1 AMINAL DIONES AS POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed