SCHEMBL8045648

SCHEMBL8045648

O=[N+]([O-])c1cc(F)cc2c1OC(COC1CCCCO1)CC2

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HCAR3 P49019 1/20 0.31
GRM5 P41594 1/20 0.31

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
SCHEMBL8046949 0.82 L3MBTL1 (0.38) L3MBTL1
SCHEMBL8044902 0.78 L3MBTL1 (0.35) L3MBTL1
SCHEMBL8046921 0.77 PIN1 (0.35)
SCHEMBL10506002 0.75 PRMT5 (0.35) MEN1KMT2A
SCHEMBL27347850 0.72 RAB9A (0.35)
SCHEMBL26126355 0.68 CYP1A2 (0.37) L3MBTL1MEN1KMT2A
SCHEMBL283701 0.68 CYP1A2 (0.37) L3MBTL1MEN1KMT2A
SCHEMBL8052477 0.67 PIN1 (0.37) L3MBTL1HCAR3
SCHEMBL31317363 0.67 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AHCAR3
SCHEMBL20985435 0.66 ALDH1A1 (0.38) L3MBTL1MEN1KMT2AHCAR3

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
US-6100268-A MIGRAINES JANSSEN PHARMACEUTICA, N.V. (BE) 2000-08-08 US disclosed
EP-0714396-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1996-06-05 EP disclosed
WO-1995005383-A1 VASOCONTRICTIVE DIHYDROBENZOPYRAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1995-02-23 WO disclosed