SCHEMBL5783451

SCHEMBL5783451

CCOC(=O)COc1ccc(C(=O)CN2C=C3C=CC(C(=N)N)C(=O)C3C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5784561 0.91 MAPT (0.35) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL5783540 0.91 MAPT (0.35) ALDH1A1MAPTGAAL3MBTL1POLB
SCHEMBL5784888 0.91 HRH3 (0.33) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL5781728 0.90 POLB (0.36) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL5787931 0.90 MAPT (0.35) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL5784542 0.89 HPGD (0.39) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL5784057 0.89 PDE4B (0.36) KDM4E
SCHEMBL5785104 0.89 RAB9A (0.36) ALDH1A1MAPTGAANPC1RAB9A
SCHEMBL5784707 0.88 HPGD (0.38) TPSAB1TPSD1TPSG1ALDH1A1MAPT
SCHEMBL5783767 0.88 RAB9A (0.41) ALDH1A1MAPTGAAPOLBNPC1

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-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP claimed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO claimed
EP-1677783-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE Nicholas Piramal India Limited (IN) 2006-07-12 EP disclosed
WO-2005035495-A2 FIBRINOGEN RECEPTOR ANTAGONISTS AND THEIR USE NICHOLAS PIRAMAL INDIA LIMITED (IN) 2005-04-21 WO disclosed