SCHEMBL7444409

SCHEMBL7444409

Nc1c(NCc2ccccc2)c(CC(=O)N2CCCCC2)c[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
TACR1 P25103 1/20 0.37
TACR3 P29371 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL8599235 0.69 NPC1 (0.69) KMT2APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL1492483 0.69 NPC1 (0.69) KMT2APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL7444401 0.67 ALDH1A1 (0.47) KMT2APOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL874261 0.67 NPC1 (0.68) KMT2APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL11613796 0.67 KMT2A (0.58) KMT2AALDH1A1SMN1; SMN2HTTNPC1
SCHEMBL1850889 0.67 KMT2A (0.76) KMT2APOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL29518393 0.66 LTA4H (0.57) KMT2APOLBALDH1A1NPC1TDP1
SCHEMBL1851840 0.65 KMT2A (0.73) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6559744 0.65 KDM4E (0.68) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5217325 0.65 KDM4E (0.68) KMT2AALDH1A1SMN1; SMN2LMNAHTT

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
US-5438063-A Hypotensive agents, cardiac insufficiency, increased intraocular pressure, and CNS disorders MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-08-01 US disclosed
EP-0628556-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-12-14 EP disclosed