SCHEMBL7780210

SCHEMBL7780210

CCCCCCCCCCCCOC(=O)C(N)Cc1c[nH]cn1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.40
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
EPHX1 P07099 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
NOD1 Q9Y239 1/20 0.37
NAAA Q02083 3/20 0.37
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 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
SCHEMBL7780212 1.00 XDH (0.40) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL7779380 1.00 XDH (0.40) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL7781922 1.00 XDH (0.40) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL7781920 1.00 XDH (0.40) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL7779381 1.00 XDH (0.40) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL7733275 1.00 XDH (0.40) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL15228058 0.99 XDH (0.39) XDHALDH1A1NPC1RAB9AMAPT
SCHEMBL7739707 0.95 LMNA (0.41) XDHALDH1A1NPC1RAB9ALMNA
SCHEMBL6436196 0.89 KDM4E (0.33) ALDH1A1LMNATSHRKDM4ESMN1; SMN2
SCHEMBL6436198 0.89 KDM4E (0.33) ALDH1A1LMNATSHRKDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135398-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION Monsanto Technology LLC (US) 2001-09-26 EP disclosed
US-6218563-B1 Cyanophosphonamides and method for preparation MONSANTO COMPANY 2001-04-17 US disclosed
WO-2000032611-A1 CYANOPHOSPHONAMIDES AND METHOD FOR PREPARATION MONSANTO TECHNOLOGY LLC (US) 2000-06-08 WO disclosed