SCHEMBL16389697

SCHEMBL16389697

CCN(CC)CCNCc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
MAPK1 P28482 2/20 0.43
CASP1 P29466 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
APAF1 O14727 1/20 0.43
ALOX12 P18054 1/20 0.43
CA1 P00915 2/20 0.43

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
SCHEMBL1724753 0.82 SMN1; SMN2 (0.59) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL16250560 0.82 LMNA (0.51) MEN1KMT2ATSHRSMN1; SMN2USP2
SCHEMBL455309 0.81 MEN1 (0.59) MEN1KMT2AGAAMAPTDRD4
SCHEMBL3879539 0.81 CHEK1 (0.48) MEN1KMT2ASCN8AUSP2ALDH1A1
SCHEMBL3457044 0.81 HRH3 (0.51) MEN1KMT2ASMN1; SMN2USP2ALDH1A1
SCHEMBL3457092 0.79 CHRM2 (0.51) MEN1KMT2ASMN1; SMN2USP2CA1
SCHEMBL4713979 0.79 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2USP2ALDH1A1
SCHEMBL5792628 0.79 L3MBTL1 (0.55) MEN1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL3622998 0.79 HRH4 (0.52) MEN1KMT2ASMN1; SMN2SCN8AUSP2
SCHEMBL4717200 0.78 CYP1A2 (0.53) MEN1KMT2AUSP2ALDH1A1CA1

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
EP-2404907-B1 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC (US) 2015-01-14 EP disclosed