SCHEMBL2567239

SCHEMBL2567239

CN1CCc2ccc(NC(=O)OC3(NC(=O)c4ccc(Cl)s4)CCCCC3)cc2CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 3/20 0.40
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
POLB P06746 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
F10 P00742 4/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2567151 0.99 KMT2A (0.43) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2570785 0.97 KMT2A (0.43) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2565621 0.95 KMT2A (0.44) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2571140 0.91 KMT2A (0.41) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2572529 0.91 KMT2A (0.41) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2571524 0.90 KMT2A (0.43) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2568683 0.89 KMT2A (0.38) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2571579 0.89 KMT2A (0.40) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2569473 0.88 KMT2A (0.41) KMT2ALMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL2566744 0.88 RAB9A (0.55) KMT2ALMNAMAPK1RAB9ASMN1; SMN2

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-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP claimed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP claimed
EP-1899330-B9 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2011-11-09 EP disclosed
EP-1899330-B1 SUBSTITUTED GLYCINAMIDES HAVING AN ANTITHROMBOTIC AND FACTOR XA-INHIBITING EFFECT BOEHRINGER INGELHEIM INT (DE) 2010-11-24 EP disclosed