SCHEMBL27344211

SCHEMBL27344211

O=C(Nc1ccccc1Cl)c1[nH]c2nc(Cl)ccc2c1CN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CDK2 P24941 3/20 0.43
FLT3 P36888 3/20 0.43
CCNA1 P78396 3/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42
RAB9A P51151 2/20 0.42
CYP2A13 Q16696 1/20 0.42
NPC1 O15118 1/20 0.42
CACNA1G O43497 1/20 0.42
MOK Q9UQ07 1/20 0.41
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL27344209 0.91 RAB9A (0.45) ROCK2ROCK1CDK2FLT3CCNA1
SCHEMBL30702704 0.86 SMN1; SMN2 (0.44) CDK2FLT3CCNA1POLBGAA
SCHEMBL27347623 0.85 KDM4E (0.43) ROCK2ROCK1CDK2FLT3CCNA1
SCHEMBL27344320 0.83 MCL1 (0.49) ROCK2ROCK1POLBGAALMNA
SCHEMBL27344298 0.82 CDK2 (0.43) ROCK2ROCK1CDK2FLT3CCNA1
SCHEMBL27348988 0.81 ROCK2 (0.42) ROCK2ROCK1CDK2FLT3CCNA1
SCHEMBL27344318 0.81 KDM4E (0.49) ROCK2ROCK1POLBGAALMNA
SCHEMBL27344324 0.81 KDM4E (0.56) CDK2POLBGAALMNAHTT
SCHEMBL34461726 0.80 KDM4E (0.46) CDK2FLT3CCNA1POLBGAA
SCHEMBL27344207 0.79 POLB (0.50) ROCK2ROCK1CDK2POLBGAA

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