SCHEMBL6441397

SCHEMBL6441397

c1ccc(Oc2ccc(-c3cc(-c4ccccc4)n[nH]3)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.73
POLB P06746 1/20 0.73
NPC1 O15118 4/20 0.63
MAPT P10636 4/20 0.63
MAPK1 P28482 3/20 0.63
HPGDS O60760 1/20 0.55
LTA4H P09960 3/20 0.54
SCN4A P35499 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MELK Q14680 1/20 0.52
ALOX15 P16050 3/20 0.51
ADORA3 P0DMS8 2/20 0.51
LMNA P02545 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALOX12 P18054 1/20 0.50

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
SCHEMBL17279801 0.88 RAB9A (0.96) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL19049229 0.86 RAB9A (0.92) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL17279797 0.86 RAB9A (0.92) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL17345709 0.86 RAB9A (0.92) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL1230353 0.86 RAB9A (1.00) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL7260004 0.85 RAB9A (0.87) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL1528538 0.84 RAB9A (0.55) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL17279967 0.84 RAB9A (0.59) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL10357934 0.81 RAB9A (0.65) RAB9APOLBNPC1MAPTMAPK1
SCHEMBL27944783 0.81 LTA4H (0.56) RAB9APOLBNPC1MAPTMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509491-A1 INTERMEDIATE PRODUCTS, METHODS FOR THEIR PREPARATION AND USE THEREOF Personal Chemistry i Uppsala AB (SE) 2005-03-02 EP disclosed
WO-2003101933-A1 INTERMEDIATE PRODUCTS, METHODS FOR THEIR PREPARATION AND USE THEREOF PERSONAL CHEMISTRY I UPPSALA AB (SE) 2003-12-11 WO disclosed