SCHEMBL2773514

SCHEMBL2773514

COc1ccc(NC(=O)c2oc3ccccc3c2C)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.68
DUSP3 P51452 1/20 0.68
PTPN11 Q06124 1/20 0.68
MAPT P10636 7/20 0.63
MEN1 O00255 6/20 0.63
RAB9A P51151 5/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
TSHR P16473 3/20 0.61
HSD17B10 Q99714 3/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NPC1 O15118 4/20 0.61
TP53 P04637 2/20 0.61
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.57
GRM4 Q14833 1/20 0.56
HCRTR1 O43613 1/20 0.56

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
SCHEMBL2773518 0.84 KMT2A (0.61) KMT2ADUSP3PTPN11MAPTMEN1
SCHEMBL5866924 0.77 LMNA (0.79) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL13742187 0.77 HCRTR1 (0.51) KMT2ADUSP3PTPN11MAPTMEN1
SCHEMBL13742243 0.75 MAPT (0.51) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL21357031 0.75 NPC1 (0.74) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL16697971 0.75 KMT2A (0.59) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL2772621 0.74 TP53 (0.63) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL2774749 0.74 RAB9A (0.87) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL195970 0.74 SMN1; SMN2 (0.78) KMT2AMAPTMEN1RAB9APOLB
SCHEMBL2775857 0.73 LMNA (0.68) KMT2AMAPTMEN1RAB9APOLB

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