SCHEMBL4778131

SCHEMBL4778131

CCOC(=O)CCN(c1nc(SC)ncc1C(=O)OCC)C1CCCCC1.CCOC(=O)CCNC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 7/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 6/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SYK P43405 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ FOS P01100 1/20 0.37
▸ JUN P05412 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NR2F2 P24468 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ S1PR2 O95136 1/20 0.37
▸ XBP1 P17861 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
SCHEMBL3291033 0.92 MEN1 (0.49) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL3531655 0.91 MEN1 (0.50) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL12556585 0.81 MEN1 (0.51) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL10991726 0.79 ALDH1A1 (0.44) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL3525725 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL12631824 0.76 MEN1 (0.47) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL9955978 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL10993583 0.74 ALDH1A1 (0.39) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL10997335 0.72 MAPT (0.46) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL5266863 0.72 ALDH1A1 (0.61) MEN1KMT2AALDH1A1TDP1POLB

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
EP-1945637-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 — — EP disclosed
WO-2007033137-A1 5-OXO-5,8-DIHYDRO-PYRIDO-PYRIMIDINES AS INHIBITORS OF C-FMS KINASE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-03-22 — — WO disclosed
Send feedback