SCHEMBL19331980

SCHEMBL19331980

CCOC(=O)c1cc2cc(Cl)c(F)cc2n1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
NOD2 Q9HC29 4/20 0.41
NOD1 Q9Y239 4/20 0.41
LGALS8 O00214 1/20 0.40
LGALS3 P17931 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAOA P21397 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL30193976 0.95 MAPT (0.42) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL19331988 0.95 MAPT (0.42) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL23049660 0.84 PHGDH (0.47) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL28804014 0.81 PHGDH (0.42) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL24187332 0.80 KDM4E (0.44) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL25233992 0.78 MAPT (0.40) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL1253237 0.78 RXFP1 (0.56) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL3920560 0.78 NOD2 (0.53) MAPTKDM4EALDH1A1MAPK1NOD2
SCHEMBL31264263 0.78 NOD2 (0.53) MAPTKDM4EALDH1A1MAPK1TDP1
SCHEMBL7626390 0.78 NOD2 (0.53) MAPTKDM4EALDH1A1MAPK1TDP1

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
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156177-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed
WO-2017156181-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-09-14 WO disclosed