SCHEMBL479767

SCHEMBL479767

COCCN(C)CC(=O)N(C)c1ccc(N/C(=C2/C(=O)Nc3cc(C(=O)OC)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
SENP1 Q9P0U3 2/20 0.40
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
BACE1 P56817 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTPN1 P18031 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34

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
SCHEMBL479769 1.00 AAK1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL2119984 1.00 AAK1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL2119827 0.95 RXFP1 (0.43) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL479472 0.95 RXFP1 (0.43) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL479474 0.95 RXFP1 (0.43) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL2567161 0.94 AAK1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL2567391 0.93 SENP1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL480850 0.93 SENP1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL2119246 0.93 SENP1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A
SCHEMBL2119241 0.93 SENP1 (0.40) AAK1SENP1ALDH1A1RXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed
EP-1830843-A2 INDOLIDONE DERIVATIVES FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-12 EP disclosed
WO-2006067165-A2 INDOLIDONE DERIVATIVES FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO disclosed