SCHEMBL7997948

SCHEMBL7997948

Br[Mg]c1ccc(OCc2ccccc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
RAB9A P51151 4/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MRGPRX4 Q96LA9 2/20 0.43
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
FOLH1 Q04609 1/20 0.40
LIPE Q05469 1/20 0.40
LTA4H P09960 1/20 0.39
MAPK14 Q16539 1/20 0.39
F2 P00734 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL416462 0.84 MAPT (0.57) PLAUPLATRAB9AMAPTNPC1
SCHEMBL29380769 0.84 MAPT (0.57) PLAUPLATRAB9AMAPTNPC1
SCHEMBL1513410 0.79 MAPT (0.53) MAPTL3MBTL1MAPK1TDP1HTR1A
SCHEMBL1356852 0.77 GPR84 (0.51) PLAUPLATRAB9AMAPTNPC1
SCHEMBL30250452 0.77 GPR84 (0.51) PLAUPLATRAB9AMAPTNPC1
SCHEMBL3157216 0.75 MRGPRX4 (0.66) RAB9AMAPTNPC1SMN1; SMN2L3MBTL1
SCHEMBL10607164 0.75 HTR1A (0.58) PLAUPLATRAB9AMAPTNPC1
SCHEMBL15271397 0.74 L3MBTL1 (0.45) MAPTNPC1L3MBTL1MAPK1TDP1
SCHEMBL4074725 0.74 IDO1 (0.53) PLAUPLATRAB9AMAPTNPC1
SCHEMBL17736774 0.74 CYP2D6 (0.48) PLAUPLATRAB9AMAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284784-B1 2-HYDROXYMETHYL DERIVATIVES GEORGETOWN UNIVERSITY 2001-09-04 US disclosed
EP-1015427-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 2000-07-05 EP disclosed
US-5962504-A ACTIVATOR OF PROTEIN KINASE; ANTICANCER AGENT GEORGETOWN UNIVERSITY (US) 1999-10-05 US disclosed
WO-1999012901-A1 SUBSTITUTED 2-PYRROLIDINONE ACTIVATORS OF PKC GEORGETOWN UNIVERSITY (US) 1999-03-18 WO disclosed