SCHEMBL9990258

SCHEMBL9990258

CC(C)(CC(N)=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
BLM P54132 2/20 0.43
SLC22A2 O15244 1/20 0.43
SLC22A1 O15245 1/20 0.43
PGR P06401 1/20 0.43
THRB P10828 1/20 0.43
ADRB3 P13945 1/20 0.43
OPRK1 P41145 1/20 0.43
PMP22 Q01453 1/20 0.43
KCNH2 Q12809 1/20 0.43
PDE3A Q14432 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17743682 0.84 CYP2C19 (0.47) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL29288576 0.84 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1NPC1TP53RAB9A
SCHEMBL1635543 0.80 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1NPC1TP53RAB9A
SCHEMBL8283520 0.77 MAPT (0.52) SMN1; SMN2L3MBTL1NPC1TP53RAB9A
SCHEMBL24608558 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL1478334 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL30634160 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL29750392 0.76 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1BLMSLC22A2SLC22A1
SCHEMBL9940509 0.75 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1NPC1TP53RAB9A
SCHEMBL28996600 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1NPC1TP53RAB9A

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-2011161615-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2011-12-29 WO claimed