SCHEMBL4011966

SCHEMBL4011966

CC(=O)Nc1ccc(N2CCCC(NC(=O)C34CC5CC(C3)C(O)C(C5)C4)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
GAA P10253 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GFER P55789 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
CNR1 P21554 1/20 0.44
POLB P06746 2/20 0.42
EPHX1 P07099 1/20 0.39
FPR1 P21462 1/20 0.39
FPR2 P25090 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 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
SCHEMBL5950713 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4010313 0.91 CNR1 (0.47) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL28769935 0.91 CNR1 (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4002885 0.90 CNR1 (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4153054 0.90 CNR1 (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL5950232 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4006388 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL4005560 0.86 CNR1 (0.38) ALDH1A1KMT2AMAPTCNR1EPHX1
SCHEMBL5950362 0.86 CNR1 (0.38) ALDH1A1KMT2AMAPTCNR1EPHX1
SCHEMBL5950384 0.86 SYK (0.40) ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 WO disclosed