SCHEMBL27344320

SCHEMBL27344320

O=C(Nc1ccccc1Cl)c1[nH]c2cc(Cl)ccc2c1CN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.49
GAA P10253 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HTT P42858 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
MDM4 O15151 2/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MOK Q9UQ07 1/20 0.43
ALDH1A1 P00352 2/20 0.42
F10 P00742 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL27344324 0.92 KDM4E (0.56) MCL1GAAKDM4EHSD17B10HTT
SCHEMBL27344318 0.91 KDM4E (0.49) MCL1GAAKDM4EHTTMAPT
SCHEMBL27348988 0.91 ROCK2 (0.42) MCL1GAAKDM4EHSD17B10HTT
SCHEMBL27344207 0.88 POLB (0.50) MCL1GAAKDM4EROCK2ROCK1
SCHEMBL27347554 0.87 GAA (0.48) MCL1GAAKDM4EMAPTROCK2
SCHEMBL27344204 0.87 ROCK2 (0.42) MCL1GAAKDM4EHSD17B10HTT
SCHEMBL27344298 0.86 CDK2 (0.43) GAAKDM4EHSD17B10HTTMAPT
SCHEMBL27344211 0.83 ROCK2 (0.45) GAAKDM4EHTTMAPTROCK2
SCHEMBL30702710 0.82 HTT (0.42) GAAKDM4EHSD17B10HTTMAPT
SCHEMBL30702708 0.82 HTT (0.42) GAAKDM4EHSD17B10HTTMAPT

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