SCHEMBL6991687

SCHEMBL6991687

CC(C)(CNC(=O)c1cccc(F)c1)CNc1c(Nc2cccnc2Cl)c(=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 2/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
ELOVL6 Q9H5J4 1/20 0.37
KCNQ3 O43525 2/20 0.37
KCNQ2 O43526 2/20 0.37
KCNQ5 Q9NR82 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6988211 0.93 POLB (0.40) KMT2ACYP1A2CYP3A4POLBRAB9A
SCHEMBL6983249 0.91 KMT2A (0.44) KMT2APOLBRAB9ANPC1ALDH1A1
SCHEMBL6985151 0.90 KMT2A (0.55) KMT2APOLBRAB9ANPC1ALDH1A1
SCHEMBL6981005 0.87 POLB (0.42) KMT2ACYP1A2CYP3A4POLBRAB9A
SCHEMBL6989465 0.80 NPC1 (0.41) KMT2ACYP1A2POLBRAB9ANPC1
SCHEMBL6991619 0.80 TYK2 (0.37)
SCHEMBL6986478 0.79 KMT2A (0.43) KMT2AUSP2CYP1A2CYP3A4POLB
SCHEMBL6990809 0.76 MEN1 (0.48) KMT2ACYP1A2CYP3A4POLBRAB9A
SCHEMBL6990394 0.76 NPC1 (0.40) KMT2ARAB9ANPC1ALDH1A1MEN1
SCHEMBL6986333 0.74 MEN1 (0.48) KMT2APOLBRAB9ANPC1ALDH1A1

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