SCHEMBL2773518

SCHEMBL2773518

COc1ccc(NC(=O)c2oc(C)c3ccccc23)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
DUSP3 P51452 1/20 0.61
PTPN11 Q06124 1/20 0.61
GRM4 Q14833 1/20 0.58
MAPT P10636 7/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
GLA P06280 1/20 0.54
POLB P06746 1/20 0.53
TP53 P04637 3/20 0.53
LMNA P02545 2/20 0.53
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 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
SCHEMBL2773514 0.84 KMT2A (0.68) KMT2ADUSP3PTPN11GRM4MAPT
SCHEMBL21357031 0.77 NPC1 (0.74) KMT2AGRM4MAPTSMN1; SMN2NPC1
SCHEMBL195970 0.76 SMN1; SMN2 (0.78) KMT2AGRM4MAPTSMN1; SMN2NPC1
SCHEMBL10777166 0.74 ALDH1A1 (0.68) KMT2AGRM4MAPTSMN1; SMN2NPC1
Fluoride SCHEMBL11789683 0.73 ALDH1A1 (0.67) KMT2AGRM4MAPTSMN1; SMN2NPC1
SCHEMBL14301092 0.73 SMN1; SMN2 (0.75) KMT2AGRM4MAPTSMN1; SMN2NPC1
SCHEMBL31054226 0.72 SMN1; SMN2 (0.71) KMT2AGRM4MAPTSMN1; SMN2NPC1
SCHEMBL2772628 0.72 POLB (0.60) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL2772922 0.72 RAB9A (0.61) KMT2AMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL1291893 0.72 SMN1; SMN2 (0.70) KMT2AMAPTSMN1; SMN2NPC1RAB9A

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-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP claimed
EP-2161266-A1 Benzofuran derivatives as orexin receptor antagonists EVOTEC Neurosciences GmbH (DE) 2010-03-10 EP disclosed