SCHEMBL4374146

SCHEMBL4374146

CC(C)(C)[C@@](Cc1c(F)cccc1F)(CN1C(=O)c2ccccc2C1=O)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
MEN1 O00255 6/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
CHRM2 P08172 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GNRHR P30968 1/20 0.35
ATM Q13315 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 0.84 KMT2A (0.48) KMT2AMEN1POLBCHRM2CA12
SCHEMBL3724996 0.83 SMN1; SMN2 (0.37) KMT2AMEN1POLBTSHRCA12
SCHEMBL1539533 0.83 KMT2A (0.39) KMT2AMEN1POLBCA12CA9
SCHEMBL4381679 0.80 MEN1 (0.47) KMT2AMEN1CA12CA9ALDH1A1
SCHEMBL4374632 0.79 GUCY1B2 (0.36) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL4583410 0.77 ALDH1A1 (0.47) KMT2AMEN1POLBALDH1A1NPC1
SCHEMBL4374678 0.76 KMT2A (0.47) KMT2APOLBALDH1A1ATM
SCHEMBL4374642 0.69 CA12 (0.42) KMT2AMEN1CHRM2CA12CA9
SCHEMBL16266052 0.66 CA12 (0.47) KMT2AMEN1POLBCA12CA9
SCHEMBL28655810 0.66 CA12 (0.55) KMT2AMEN1CHRM2CA12CA9

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-2117523-A1 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2009-11-18 EP disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 WO disclosed