SCHEMBL7253163

SCHEMBL7253163

CC(C)(C)c1cc(C(=O)Nc2ccccn2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(=O)Nc2cccnn2)cc(C(C)(C)C)c1O.CC(C)(C)c1cc(C(=O)Nc2ncccn2)cc(C(C)(C)C)c1O.Cc1cc(C(=O)Nc2ccccn2)cc(C)c1O.Cc1cc(C(=O)Nc2cccnn2)cc(C)c1O.Cc1cc(C(=O)Nc2cnccn2)cc(C)c1O.Cc1cc(C(=O)Nc2ncccn2)cc(C)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
NPC1 O15118 4/20 0.44
TP53 P04637 3/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
TSHR P16473 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
FLT3 P36888 1/20 0.36
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL3894403 0.79 SIRT2 (0.48) SMN1; SMN2SIRT2LMNA
SCHEMBL3894083 0.78 NPC1 (0.60) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL3889851 0.78 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL3894291 0.76 SIRT2 (0.51) RAB9ASMN1; SMN2NPC1TP53NPSR1
SCHEMBL3901088 0.75 NPC1 (0.66) RAB9ASMN1; SMN2NPC1TP53TSHR
SCHEMBL3892664 0.75 TSHR (0.58) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL3891472 0.74 GLA (0.50) RAB9ANPC1TP53NPSR1SIRT2
SCHEMBL3893324 0.70 GLA (0.54) RAB9ANPC1TP53NPSR1SIRT2
SCHEMBL3898264 0.66 GAA (0.45) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL4396673 0.65 FPR2 (0.46) RAB9ASMN1; SMN2NPC1TP53MAPT

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
WO-2003010143-A1 DIALKYLHYDROXYBENZOIC ACID DERIVATIVES CONTAINING METAL CHELATING GROUPS AND THEIR THERAPEUTIC USES SAMSUNG ELECTRONICS CO., LTD. (KR) 2003-02-06 WO disclosed