SCHEMBL5044591

SCHEMBL5044591

[NH]C(Cc1c(Br)cc(C(=O)NCCc2ccc(Oc3ccccc3)cc2)cc1Br)c1cccc(-c2ccc(F)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
EPHX2 P34913 2/20 0.46
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MCHR1 Q99705 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
POLB P06746 2/20 0.39
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
GLI1 P08151 1/20 0.38
GLI2 P10070 1/20 0.38
KLK7 P49862 1/20 0.38
PARP1 P09874 1/20 0.37
PLAAT3 P53816 1/20 0.37
PLAAT5 Q96KN8 1/20 0.37
PLAAT2 Q9NWW9 1/20 0.37

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
SCHEMBL5044266 0.83 LTA4H (0.48) LTA4HEPHX2NPC1RAB9AKDM4E
SCHEMBL5048336 0.79 NAAA (0.41) NPC1RAB9A
SCHEMBL1852654 0.79 LTA4H (0.45) LTA4HEPHX2NPC1RAB9AKDM4E
SCHEMBL6022090 0.79 GLI1 (0.43) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5043892 0.79 GLI1 (0.43) NPC1RAB9AMEN1KMT2ARXFP1
SCHEMBL5044001 0.78 MEN1 (0.42) LTA4HEPHX2NPC1RAB9AMEN1
SCHEMBL6022041 0.76 NPC1 (0.47) LTA4HEPHX2NPC1RAB9AKDM4E
SCHEMBL5047813 0.75 MEN1 (0.46) LTA4HEPHX2NPC1RAB9AMEN1
SCHEMBL5044120 0.74 MEN1 (0.42) LTA4HEPHX2NPC1RAB9AALDH1A1
SCHEMBL1857107 0.73 MEN1 (0.44) LTA4HEPHX2NPC1RAB9AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed