SCHEMBL14080220

SCHEMBL14080220

[N-]=[N+]=NCCCCc1ccc(I)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.44
▸ MIF P14174 2/20 0.34
▸ SIGMAR1 Q99720 2/20 0.34
▸ SPHK2 Q9NRA0 6/20 0.34
▸ SPHK1 Q9NYA1 6/20 0.34
▸ NAAA Q02083 3/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ IDO1 P14902 1/20 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
SCHEMBL14080940 0.94 ADRB2 (0.43) ADRB2MIFSIGMAR1SPHK2SPHK1
SCHEMBL16674489 0.90 ADRB2 (0.49) ADRB2MIFNAAACYP3A4
SCHEMBL21084402 0.83 ADRB2 (0.48) ADRB2MIFNAAA
SCHEMBL26316554 0.82 ADRB2 (0.48) ADRB2IDO1
SCHEMBL30148114 0.81 ADRB2 (0.44) ADRB2MIFSIGMAR1NAAA
SCHEMBL15907593 0.80 MIF (0.53) ADRB2MIFSIGMAR1NAAA
SCHEMBL13698943 0.78 NAAA (0.55) MIFSIGMAR1NAAA
SCHEMBL28384138 0.78 NAAA (0.55) MIFSIGMAR1NAAA
SCHEMBL15994916 0.78 NAAA (0.55) MIFSIGMAR1NAAA
SCHEMBL26661891 0.78 NAAA (0.55) MIFSIGMAR1NAAA

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
WO-2008106204-A1 MACROLIDE COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X-PHARMACEUTICALS, INC. (US) 2008-09-04 — — WO disclosed
Send feedback