SCHEMBL723113

SCHEMBL723113

Cc1ccc([CH]c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
ALOX5 P09917 2/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
HTT P42858 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
LMNA P02545 3/20 0.42
GAA P10253 2/20 0.42
CYP1A2 P05177 4/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL12743946 0.82 RAB9A (0.61) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL723432 0.80 SMN1; SMN2 (0.48) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL28581898 0.79 RAB9A (0.43) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL6506544 0.79 L3MBTL1 (0.46) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL8699745 0.79 CYP1A2 (0.56) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL28889596 0.78 RAB9A (0.42) MAPTKMT2AMEN1POLBSMN1; SMN2
SCHEMBL10035777 0.77 RAB9A (0.56) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL559558 0.77 SMN1; SMN2 (0.59) MAPTKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1149391 0.71 CYP2A6 (0.58) MAPTPOLBSMN1; SMN2RAB9ANPC1
SCHEMBL3814446 0.71 ALDH1A1 (0.50) MAPTKMT2AMEN1SMN1; SMN2RAB9A

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-2616453-A2 ANTIMETASTATIC COMPOUNDS Brigham Young University (US) 2013-07-24 EP disclosed
WO-2012027392-A2 ANTIMETASTATIC COMPOUNDS BRIGHAM YOUNG UNIVERSITY (US) 2012-03-01 WO disclosed