SCHEMBL7303620

SCHEMBL7303620

COc1ccc(-c2ccccc2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.76
POLB P06746 1/20 0.76
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
KDM4E B2RXH2 1/20 0.57
METAP2 P50579 1/20 0.55
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ALDH1A1 P00352 1/20 0.54
PNLIP P16233 1/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 2/20 0.54
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
ALOX15 P16050 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPT P10636 1/20 0.51
CASP3 P42574 1/20 0.51

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
SCHEMBL31393767 0.87 GAA (0.89) GAAPOLBNPC1RAB9AKDM4E
SCHEMBL8715012 0.87 GAA (0.89) GAAPOLBNPC1RAB9AKDM4E
SCHEMBL7132902 0.86 GAA (0.87) GAAPOLBNPC1RAB9AKDM4E
SCHEMBL7087225 0.82 GAA (0.76) GAAPOLBNPC1RAB9AKDM4E
SCHEMBL5223218 0.81 NR1H4 (0.73) POLBNPC1RAB9AMEN1KMT2A
SCHEMBL7301192 0.80 NPC1 (0.81) GAANPC1RAB9AKDM4EMEN1
SCHEMBL7304276 0.80 NPC1 (0.81) GAANPC1RAB9AKDM4EMEN1
SCHEMBL6300807 0.80 GAA (0.80) GAAPOLBNPC1RAB9AKDM4E
SCHEMBL5227493 0.79 KMT2A (0.58) NPC1RAB9AMETAP2MEN1KMT2A
SCHEMBL7328743 0.79 MAPT (0.66) NPC1RAB9AKDM4EMEN1KMT2A

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-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed