SCHEMBL3944796

SCHEMBL3944796

COc1ccc(-c2ccccc2C(N)C(N)(c2ccccc2-c2ccc(F)cc2C)C(N)c2ccccc2-c2ccc(C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.36
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
S1PR1 P21453 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
STAT3 P40763 1/20 0.33
KIF11 P52732 1/20 0.33
AR P10275 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL3944792 0.73 SYK (0.42) SYKABL1ABCB1BCRS1PR1
SCHEMBL11691477 0.71 SYK (0.48) SYKABL1ABCB1BCRMEN1
SCHEMBL24767596 0.63 CYP1A1 (0.48) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL13463285 0.63 ACHE (0.56) ABL1ABCB1BCRMEN1KMT2A
SCHEMBL29143057 0.62 ACHE (0.47) ABL1ABCB1BCRMEN1KMT2A
SCHEMBL10068337 0.62 ACHE (0.54) ABL1ABCB1BCRMEN1KMT2A
SCHEMBL6688815 0.62 ACHE (0.60) ABL1ABCB1BCRMEN1KMT2A
SCHEMBL172439 0.62 ACHE (0.60) ABL1ABCB1BCRKMT2AMAPT
SCHEMBL12345146 0.62 ACHE (0.54) SYKABL1ABCB1BCRKMT2A
SCHEMBL4567631 0.61 ACHE (0.54) ABL1ABCB1BCRKMT2AALKBH3

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-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed