SCHEMBL3663494

SCHEMBL3663494

COc1ccc(-c2c(-c3ccccc3)oc(C)c2C(=O)Nc2cccc([O])c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
TRPV1 Q8NER1 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
KMT2A Q03164 5/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 4/20 0.47
AKR1C3 P42330 1/20 0.45
KDM4E B2RXH2 3/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SNCA P37840 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 2/20 0.44

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
SCHEMBL3663497 0.90 NPC1 (0.53) ADORA3MAPTALDH1A1HPGDTRPV1
SCHEMBL6524914 0.85 KMT2A (0.50) ADORA3MAPTALDH1A1HPGDTRPV1
SCHEMBL12791164 0.85 HTT (0.55) ADORA3MAPTALDH1A1HPGDTRPV1
SCHEMBL12791098 0.85 ALDH1A1 (0.52) ADORA3MAPTALDH1A1HPGDTRPV1
SCHEMBL6517154 0.79 L3MBTL1 (0.57) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3668412 0.79 ALDH1A1 (0.55) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL12791258 0.73 SMN1; SMN2 (0.48) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL12791142 0.73 SMN1; SMN2 (0.48) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3665405 0.72 SMN1; SMN2 (0.47) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL3663483 0.72 SMN1; SMN2 (0.47) MAPTALDH1A1HPGDSMN1; SMN2KMT2A

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-2240461-A1 SUBSTITUTED FURANS AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-10-20 EP disclosed
WO-2009097991-A1 SUBSTITUTED FURANS AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-08-13 WO disclosed