SCHEMBL3380854

SCHEMBL3380854

O=C(Nc1ccc2c(c1)CCN(C1CCC1)CC2)OC1(NC(=O)c2ccc(Cl)s2)CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.39
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
NFKB1 P19838 2/20 0.38
RAB9A P51151 2/20 0.38
NFKB2 Q00653 2/20 0.38
KMT2A Q03164 2/20 0.38
RELA Q04206 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
HRH1 P35367 1/20 0.36
F10 P00742 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL2568683 0.97 KMT2A (0.38) HRH3MEN1NPC1NFKB1RAB9A
SCHEMBL2567151 0.89 KMT2A (0.43) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL2567239 0.88 KMT2A (0.42) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL2570785 0.87 KMT2A (0.43) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL3036059 0.85 MEN1 (0.39) HRH3MEN1NPC1NFKB1RAB9A
SCHEMBL2565621 0.85 KMT2A (0.44) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL3028089 0.82 KMT2A (0.40) HRH3MEN1NPC1NFKB1RAB9A
SCHEMBL2569473 0.82 KMT2A (0.41) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL2569968 0.81 RAB9A (0.39) MEN1NPC1NFKB1RAB9ANFKB2
SCHEMBL2571140 0.81 KMT2A (0.41) MEN1NPC1NFKB1RAB9ANFKB2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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