SCHEMBL4381679

SCHEMBL4381679

CC(C)(C)[C@@](Cc1ccccc1C(F)(F)F)(CN1C(=O)c2ccccc2C1=O)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
GRM5 P41594 1/20 0.39
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
POLQ O75417 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
P2RX7 Q99572 2/20 0.36
GNRHR P30968 1/20 0.36
P2RY14 Q15391 1/20 0.36
CHRM5 P08912 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL4583697 0.82 KMT2A (0.48) MEN1KMT2AALDH1A1CA12CA9
SCHEMBL4436295 0.81 POLQ (0.43) MEN1KMT2AKDM4EATMNPSR1
SCHEMBL4374146 0.80 KMT2A (0.41) MEN1KMT2AATMALDH1A1CA12
SCHEMBL3724996 0.77 SMN1; SMN2 (0.37) MEN1KMT2ACA12CA9P2RX7
SCHEMBL1539533 0.77 KMT2A (0.39) MEN1KMT2ATDP1CA12CA9
SCHEMBL4583410 0.76 ALDH1A1 (0.47) MEN1KMT2ATDP1ALDH1A1GAA
SCHEMBL4374678 0.75 KMT2A (0.47) KMT2AKDM4EATMALDH1A1GAA
SCHEMBL11100770 0.69 CA12 (0.58) MEN1KMT2AKDM4EATMNPSR1
SCHEMBL3508771 0.69 MEN1 (0.50) MEN1KMT2AKDM4EATMNPSR1
SCHEMBL4374642 0.68 CA12 (0.42) MEN1KMT2AKDM4ENPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134175-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-12-23 EP disclosed
EP-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
EP-2114388-A1 INHIBITORS OF AKT ACTIVITY Smithkline Beecham Corporation (US) 2009-11-11 EP disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed
WO-2008098105-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed