SCHEMBL681244

SCHEMBL681244

C=C(C(C)C)[C@H](CCNC1CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
MCHR1 Q99705 6/20 0.46
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
FOXM1 Q08050 1/20 0.40
EPHX1 P07099 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 1/20 0.38
AKT1 P31749 1/20 0.38
AKT2 P31751 1/20 0.38
AKT3 Q9Y243 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
EPHX2 P34913 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL680237 0.88 MEN1 (0.48) MEN1KMT2AMITFMCHR1SMN1; SMN2
SCHEMBL680840 0.88 MEN1 (0.50) MEN1KMT2AMITFMCHR1POLB
SCHEMBL680141 0.87 AKT3 (0.45) MCHR1POLBSMN1; SMN2EPHX1GAA
SCHEMBL12188421 0.85 MCHR1 (0.50) MEN1KMT2AMITFMCHR1POLB
SCHEMBL10257139 0.82 MCHR1 (0.50) MEN1KMT2AMITFMCHR1POLB
SCHEMBL681566 0.80 MEN1 (0.40) MEN1KMT2AMITFPOLBSMN1; SMN2
SCHEMBL17803819 0.80 KDM4E (0.42) MEN1KMT2APOLBSMN1; SMN2GAA
SCHEMBL681002 0.77 AKT3 (0.47) MCHR1POLBSMN1; SMN2EPHX1GAA
SCHEMBL680114 0.76 BRD4 (0.42) MEN1KMT2AMITFSMN1; SMN2GAA
SCHEMBL679786 0.76 MEN1 (0.48) MEN1KMT2AMITFMCHR1POLB

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
US-9359340-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-06-07 US disclosed
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed