SCHEMBL1989986

SCHEMBL1989986

CC(C)(C)N(Cc1ccc(-c2nc3ccnc(C(=O)NCc4ccccc4)c3cc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.40
RAB9A P51151 1/20 0.39
TACR3 P29371 1/20 0.39
PIK3CD O00329 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
CNR1 P21554 1/20 0.38
MAPK1 P28482 1/20 0.38
TACR1 P25103 1/20 0.37

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
SCHEMBL1352644 0.87 AKT1 (0.39) LMNAKMT2AHTTSMN1; SMN2RAB9A
SCHEMBL12803747 0.86 KMT2A (0.47) LMNATP53KMT2ATHRBRAB9A
SCHEMBL1350490 0.85 AKT1 (0.41) LMNAKMT2AHTTSMN1; SMN2RAB9A
SCHEMBL12597695 0.85 NAMPT (0.49) TP53KMT2A
SCHEMBL12803268 0.84 KLKB1 (0.49) LMNATP53KMT2ATHRBRAB9A
Hydrochloric Acid SCHEMBL1981812 0.83 KLKB1 (0.48) LMNATP53KMT2ATHRBRAB9A
SCHEMBL12803421 0.83 KLKB1 (0.48) LMNATP53KMT2ARAB9ATACR3
SCHEMBL1352017 0.83 MEN1 (0.37) LMNAKMT2AHTTSMN1; SMN2
Methylamine SCHEMBL1981809 0.83 CNR1 (0.52) LMNATP53KMT2AHTTTHRB
SCHEMBL1352166 0.82 ADK (0.42) KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075383-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed