SCHEMBL27344209

SCHEMBL27344209

Cc1ccc2c(CN3CCOCC3)c(C(=O)Nc3ccccc3Cl)[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
POLB P06746 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MOK Q9UQ07 1/20 0.42
CDK2 P24941 1/20 0.42
FLT3 P36888 1/20 0.42
CCNA1 P78396 1/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 1/20 0.41
PTGES O14684 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 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
SCHEMBL27344211 0.91 ROCK2 (0.45) RAB9AROCK2ROCK1POLBKDM4E
SCHEMBL27347623 0.87 KDM4E (0.43) RAB9AROCK2ROCK1POLBKDM4E
SCHEMBL30702704 0.85 SMN1; SMN2 (0.44) RAB9APOLBKDM4EMOKCDK2
SCHEMBL27344318 0.83 KDM4E (0.49) RAB9AROCK2ROCK1POLBKDM4E
SCHEMBL34461726 0.83 KDM4E (0.46) RAB9APOLBKDM4ECDK2FLT3
SCHEMBL27344320 0.81 MCL1 (0.49) ROCK2ROCK1POLBKDM4EMOK
SCHEMBL27344301 0.81 MAPK1 (0.42) RAB9APOLBKDM4EMOKCDK2
SCHEMBL27344201 0.80 KDM4E (0.45) RAB9APOLBKDM4ECDK2FLT3
SCHEMBL27344098 0.80 KDM4E (0.44) RAB9APOLBKDM4EMOKCDK2
SCHEMBL27348988 0.80 ROCK2 (0.42) RAB9AROCK2ROCK1POLBKDM4E

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-2024011294-A1 ANTI-GIARDIAL COMPOUNDS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2024-01-18 WO disclosed