SCHEMBL4003550

SCHEMBL4003550

CC(=O)Nc1ccc(-c2ccc(N3CCCC(NC(=O)C45CC6CC(C4)C(O)C(C6)C5)C3)nc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.40
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
HSD11B1 P28845 4/20 0.36
HSD11B2 P80365 3/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RET P07949 2/20 0.36

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
SCHEMBL5950384 1.00 SYK (0.40) SYKKCNH2MCHR1KMT2AALDH1A1
SCHEMBL4010767 0.88 S100A4 (0.41) SYKKCNH2MCHR1KMT2AMEN1
SCHEMBL4011713 0.88 SYK (0.39) SYKKMT2AMEN1HSD11B1HSD11B2
SCHEMBL4286556 0.88 S100A4 (0.41) SYKKCNH2MCHR1KMT2AMEN1
SCHEMBL4152408 0.88 HSD11B1 (0.44) HSD11B1RET
SCHEMBL4004297 0.86 HSD11B1 (0.40) SYKKMT2AMEN1HSD11B1HSD11B2
SCHEMBL5950713 0.86 ALDH1A1 (0.46) KMT2AALDH1A1POLBMEN1
SCHEMBL4011966 0.86 ALDH1A1 (0.46) KMT2AALDH1A1POLBMEN1
SCHEMBL4002517 0.86 KMT2A (0.47) SYKKCNH2MCHR1KMT2AMEN1
SCHEMBL4002511 0.86 KMT2A (0.47) SYKKCNH2MCHR1KMT2AMEN1

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