SCHEMBL28048769

SCHEMBL28048769

c1ccc(CCOc2cccnc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.57
CYP11B2 P19099 3/20 0.57
CHRNB2 P17787 6/20 0.57
CHRNA4 P43681 6/20 0.57
LTA4H P09960 1/20 0.57
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL5753264 0.89 LTA4H (0.57) CYP11B1CYP11B2CHRNB2CHRNA4LTA4H
SCHEMBL27512940 0.82 CHRNB2 (0.54) CHRNB2CHRNA4NPC1RAB9A
SCHEMBL30150593 0.81 RAB9A (0.62) CHRNB2CHRNA4RAB9A
SCHEMBL1323646 0.81 RAB9A (0.62) CHRNB2CHRNA4RAB9A
SCHEMBL1070131 0.80 NPC1 (0.73) LTA4HNPC1RAB9ATAAR1
Bromide SCHEMBL27462942 0.80 RAB9A (0.60) CHRNB2CHRNA4RAB9A
SCHEMBL13097024 0.80 MAPK1 (0.64)
Pyridine SCHEMBL5787948 0.79 RAB9A (0.59) CHRNB2CHRNA4RAB9A
SCHEMBL7536878 0.79 CHRNB2 (0.57) CYP11B1CYP11B2CHRNB2CHRNA4LTA4H
SCHEMBL5681576 0.78 RAB9A (0.54) NPC1RAB9A

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
CN-105189515-A Furopyridines as bromodomain inhibitors GLAXOSMITHKLINE IP NO 2 LTD 2015-12-23 CN disclosed