SCHEMBL8473735

SCHEMBL8473735

CCCCCCCNC(=O)Nc1ccccc1C(=O)Nc1ccccn1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
ALOX12 P18054 1/20 0.63
RXFP1 Q9HBX9 1/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
USP2 O75604 1/20 0.52
EPHX1 P07099 3/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 2/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
EPHX2 P34913 1/20 0.47
SGMS2 Q8NHU3 1/20 0.47

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
SCHEMBL2361098 0.85 HTT (0.91) HTTSMN1; SMN2ALOX12NPC1RAB9A
SCHEMBL8476275 0.80 CDK2 (0.64) HTTL3MBTL1EPHX1ALDH1A1POLB
SCHEMBL6442708 0.78 EPHX1 (0.73) HTTL3MBTL1EPHX1ALDH1A1POLB
SCHEMBL8590214 0.78 ALOX12 (1.00) HTTSMN1; SMN2ALOX12NPC1RAB9A
SCHEMBL8556765 0.78 L3MBTL1 (0.68) HTTL3MBTL1USP2EPHX1ALDH1A1
SCHEMBL8478839 0.77 L3MBTL1 (0.61) HTTL3MBTL1USP2EPHX1ALDH1A1
SCHEMBL29098671 0.77 GAA (0.70) HTTSMN1; SMN2ALOX12L3MBTL1NPC1
SCHEMBL10362736 0.77 GAA (0.70) HTTSMN1; SMN2ALOX12L3MBTL1NPC1
SCHEMBL10363617 0.77 GAA (0.70) HTTSMN1; SMN2ALOX12L3MBTL1NPC1
SCHEMBL8777804 0.76 L3MBTL1 (0.60) HTTSMN1; SMN2L3MBTL1NPC1RAB9A

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-5872115-A COMPOUNDS FOR TREATMENT OF HYPERCHOLESTEROLEMIA, ISCHEMIC HEART DISEASE, CEREBROVASCULAR DISEASE OR ATHEROSCLEROSIS GRELAN PHARMACEUTICAL CO. LTD. (JP) 1999-02-16 US disclosed
EP-0742208-A1 2-Ureido-benzamide derivatives GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed