SCHEMBL2566744

SCHEMBL2566744

CN1CCc2ccc(NC(=O)OC3(NC(=O)c4ccc(Br)s4)CCCC3)cc2CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.55
NPC1 O15118 7/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NFKB1 P19838 4/20 0.55
NFKB2 Q00653 4/20 0.55
RELA Q04206 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CASP3 P42574 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
POLB P06746 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
MAPT P10636 4/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
MAPK1 P28482 2/20 0.38

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
SCHEMBL2566731 0.91 NPC1 (0.53) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2567151 0.89 KMT2A (0.43) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2569660 0.89 MEN1 (0.48) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2567239 0.88 KMT2A (0.42) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2570785 0.87 KMT2A (0.43) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2565621 0.85 KMT2A (0.44) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2571467 0.84 NPC1 (0.58) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2571140 0.81 KMT2A (0.41) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2572529 0.81 KMT2A (0.41) RAB9ANPC1MEN1KMT2ANFKB1
SCHEMBL2571524 0.80 KMT2A (0.43) RAB9ANPC1MEN1KMT2ANFKB1

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