SCHEMBL2908400

SCHEMBL2908400

O=C(NCC1(C(=O)Nc2ccncc2)CCCCC1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
NT5E P21589 1/20 0.56
NAMPT P43490 5/20 0.50
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.47
THRB P10828 1/20 0.47
HDAC1 Q13547 1/20 0.47
CHRNA7 P36544 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK14 Q16539 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
SLC6A9 P48067 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1555616 0.92 LMNA (0.48) KMT2ANT5ENAMPTMAPK1LMNA
Hydrochloric Acid SCHEMBL29928336 0.71 LMNA (0.50) LMNANPC1RAB9AKDM4EL3MBTL1
SCHEMBL5778500 0.71 LMNA (0.50) MAPK1LMNARAB9ANPSR1
SCHEMBL20379630 0.71 NAMPT (0.88) NAMPTCYP3A4MAPK14
SCHEMBL7717749 0.70 KMT2A (0.47) KMT2ANT5ENAMPTMAPK1LMNA
SCHEMBL7717745 0.70 KMT2A (0.47) KMT2ANT5ENAMPTMAPK1LMNA
SCHEMBL26101409 0.69 NAMPT (0.81) NAMPTMAPK1NPC1RAB9A
SCHEMBL5750238 0.68 KDM4E (0.56) KMT2ANT5ENAMPTMAPK1LMNA
Hydrochloric Acid SCHEMBL5454019 0.68 KDM4E (0.55) KMT2ANT5ENAMPTMAPK1LMNA
SCHEMBL11617697 0.68 MAPK1 (1.00) KMT2ANT5ENAMPTMAPK1LMNA

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-0956865-B2 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI TANABE PHARMA CORP (JP) 2010-08-18 EP disclosed
EP-0956865-B1 MEDICINES COMPRISING Rho KINASE INHIBITOR MITSUBISHI PHARMA CORP (JP) 2007-04-18 EP disclosed