SCHEMBL11523503

SCHEMBL11523503

CCCCCCc1[nH]cnc1CCCNC(=N)NC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.36
EPHX1 P07099 1/20 0.36
KDM4E B2RXH2 1/20 0.34
NAAA Q02083 1/20 0.34
SELP P16109 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
HRH2 P25021 2/20 0.33
EPHX2 P34913 2/20 0.32

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
SCHEMBL11525284 1.00 XDH (0.36) XDHEPHX1KDM4ENAAASELP
SCHEMBL11526556 1.00 XDH (0.36) XDHEPHX1KDM4ENAAASELP
SCHEMBL11524957 0.99 XDH (0.36) XDHEPHX1KDM4ENAAASELP
SCHEMBL11522698 0.95 XDH (0.36) XDHEPHX1KDM4ESELPHRH2
SCHEMBL11527227 0.94 XDH (0.36) XDHEPHX1KDM4ESELPSPHK1
SCHEMBL11525635 0.94 XDH (0.36) XDHEPHX1KDM4ESELPSPHK1
SCHEMBL11523042 0.94 XDH (0.36) XDHEPHX1KDM4ESELPSPHK1
SCHEMBL11523245 0.93 XDH (0.36) XDHEPHX1SELPSPHK1HRH2
SCHEMBL11527129 0.93 HRH2 (0.34) XDHEPHX1HRH2
SCHEMBL11528372 0.90 XDH (0.37) XDHEPHX1HRH2

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
US-4166860-A TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA WILLIAM H. RORER, INC. (US) 1979-09-04 US disclosed