SCHEMBL2569968

SCHEMBL2569968

C[N+]1([O-])CCc2ccc(NC(=O)OC3(NC(=O)c4ccc(Cl)s4)CCCC3)cc2CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.39
NPC1 O15118 9/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
NFKB1 P19838 5/20 0.39
NFKB2 Q00653 5/20 0.39
KMT2A Q03164 5/20 0.39
RELA Q04206 5/20 0.39
MEN1 O00255 4/20 0.39
POLB P06746 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAPT P10636 4/20 0.36
TP53 P04637 3/20 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
SCHEMBL2567151 0.86 KMT2A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2567239 0.86 KMT2A (0.42) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2570785 0.85 KMT2A (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3034901 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2565621 0.83 KMT2A (0.44) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2568683 0.82 KMT2A (0.38) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3380854 0.81 HRH3 (0.39) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2571140 0.79 KMT2A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2572529 0.79 KMT2A (0.41) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2571579 0.78 KMT2A (0.40) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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-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