SCHEMBL30245608

SCHEMBL30245608

COc1cccc(CN(Cc2ccc(N3CCN(C)CC3)cc2)c2ccc(CN3CCCCC3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
CHKA P35790 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
LMNA P02545 1/20 0.48
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
CASP1 P29466 1/20 0.46
CASP4 P49662 1/20 0.46
CASP5 P51878 1/20 0.46
GFER P55789 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
F2R P25116 1/20 0.44
LTA4H P09960 1/20 0.43

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
SCHEMBL25262872 1.00 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL30245261 0.95 SIGMAR1 (0.52) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL30245540 0.95 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL25248944 0.95 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL30245515 0.95 SIGMAR1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL25253290 0.95 SIGMAR1 (0.51) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL25250220 0.94 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL30244925 0.94 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL25301288 0.93 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL30245504 0.93 MAPT (0.48) KDM4EALDH1A1SMN1; SMN2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP claimed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO claimed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO claimed
EP-4384516-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS Texas Heart Institute (US) 2024-06-19 EP disclosed
WO-2023018472-A9 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-07-13 WO disclosed
WO-2023018472-A1 AMINOARYL-INTEGRIN AGONISTS COMPOUNDS TEXAS HEART INSTITUTE (US) 2023-02-16 WO disclosed