SCHEMBL7302329

SCHEMBL7302329

CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3cccnc3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.76
GALR3 O60755 1/20 0.76
MAPK1 P28482 1/20 0.76
NAMPT P43490 4/20 0.73
NPC1 O15118 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TP53 P04637 1/20 0.65
RECQL P46063 1/20 0.65
KMT2A Q03164 2/20 0.63
MEN1 O00255 1/20 0.63
POLB P06746 1/20 0.60
TNF P01375 1/20 0.59
NOD1 Q9Y239 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.58

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
SCHEMBL14527424 0.89 RAB9A (0.63) RAB9AGALR3MAPK1NAMPTNPC1
SCHEMBL30994893 0.86 PGR (0.74) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL13167592 0.83 NAMPT (0.82) RAB9ANAMPTNPC1SMN1; SMN2TP53
SCHEMBL10150461 0.83 LMNA (0.56) RAB9AGALR3MAPK1NAMPTNPC1
SCHEMBL3872792 0.81 NAMPT (0.78) RAB9ANAMPTNPC1SMN1; SMN2KMT2A
SCHEMBL789920 0.81 RAB9A (0.78) RAB9AGALR3MAPK1NAMPTNPC1
SCHEMBL12310174 0.80 KMT2A (0.76) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL11617534 0.79 RAB9A (0.75) RAB9ANAMPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL7295236 0.79 NPC1 (0.64) RAB9AGALR3MAPK1NAMPTNPC1
SCHEMBL3872500 0.78 NAMPT (0.65) RAB9AGALR3MAPK1NAMPTNPC1

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-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