SCHEMBL6419224

SCHEMBL6419224

OC/C=C(/c1ccccc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PTPN1 P18031 1/20 0.42
GSK3B P49841 1/20 0.42
WDR5 P61964 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
LMNA P02545 2/20 0.41
FFAR1 O14842 1/20 0.41
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
HPGD P15428 1/20 0.40

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
SCHEMBL6419987 1.00 RAB9A (0.44) RAB9ANPC1CTDSP1SMN1; SMN2MAPT
SCHEMBL6419227 1.00 RAB9A (0.44) RAB9ANPC1CTDSP1SMN1; SMN2MAPT
SCHEMBL6418420 0.98 SMN1; SMN2 (0.44) RAB9ANPC1CTDSP1SMN1; SMN2MAPT
SCHEMBL4630812 0.89 MTNR1A (0.48) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6438461 0.89 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL6438467 0.89 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL6438458 0.89 SMN1; SMN2 (0.42) RAB9ANPC1SMN1; SMN2MAPTL3MBTL1
SCHEMBL4631622 0.82 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTCHRNB2
SCHEMBL17802374 0.82 CES2 (0.50) MAPTL3MBTL1CHRNB2CHRNB4CHRNA3
SCHEMBL4631618 0.82 NPC1 (0.50) RAB9ANPC1SMN1; SMN2MAPTCHRNB2

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-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US disclosed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP disclosed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO disclosed