SCHEMBL2568683

SCHEMBL2568683

O=C(Nc1ccc2c(c1)CCN(C1CC1)CC2)OC1(NC(=O)c2ccc(Cl)s2)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
RAB9A P51151 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
NPC1 O15118 3/20 0.38
NFKB1 P19838 3/20 0.38
NFKB2 Q00653 3/20 0.38
RELA Q04206 3/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
HRH3 Q9Y5N1 5/20 0.36
F10 P00742 7/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3380854 0.97 HRH3 (0.39) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2567151 0.89 KMT2A (0.43) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2567239 0.89 KMT2A (0.42) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2570785 0.88 KMT2A (0.43) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2565621 0.86 KMT2A (0.44) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL3028089 0.85 KMT2A (0.40) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL3036059 0.82 MEN1 (0.39) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2572529 0.82 KMT2A (0.41) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2569968 0.82 RAB9A (0.39) KMT2ARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2571140 0.82 KMT2A (0.41) KMT2ARAB9ASMN1; SMN2MEN1NPC1

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