SCHEMBL7623931

SCHEMBL7623931

[c]1cc2c(ccc3ccc(-c4nccc5c4ccc4cccnc45)nc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.37
CCR5 P51681 3/20 0.37
CCR8 P51685 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MMP2 P08253 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MMP9 P14780 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MMP8 P22894 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL24690 0.83 CCR1 (0.52) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL24520 0.71 CCR1 (0.52) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL1246514 0.68 CCR1 (0.75) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL17511860 0.64 MAPT (0.55) LMNAKDM4EMAPTTP53HSP90AA1
SCHEMBL14884158 0.63 KDM4E (0.49) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL14884093 0.63 CYP2A6 (0.49) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL24183839 0.63 LMNA (0.54) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL24183840 0.63 CCR1 (0.61) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL25462076 0.62 CCR1 (0.41) CCR1CCR5CCR8L3MBTL1LMNA
SCHEMBL29568930 0.62 LMNA (0.58) CCR1CCR5CCR8L3MBTL1LMNA

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-6455579-B1 Pyran derivatives KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2002-09-24 US disclosed