SCHEMBL8525484

SCHEMBL8525484

COc1cc2c(=O)[nH]cnc2cc1OCCN(C)S(=O)(=O)CCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
SRC P12931 8/20 0.45
KIT P10721 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAP2K1 Q02750 1/20 0.43
AURKA O14965 1/20 0.43
EGFR P00533 4/20 0.43
KDR P35968 2/20 0.43
AXL P30530 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL29478512 0.87 KDM1A (0.57) KDM1ASRCKITKDM4EMAP2K1
SCHEMBL829762 0.87 KDM1A (0.57) KDM1ASRCKITKDM4EMAP2K1
SCHEMBL1734721 0.87 KDM1A (0.57) KDM1ASRCKITKDM4EMAP2K1
SCHEMBL29478513 0.87 KDM1A (0.57) KDM1ASRCKITKDM4EMAP2K1
Hydrochloric Acid SCHEMBL27988356 0.86 KDM1A (0.56) KDM1ASRCKITKDM4EMAP2K1
Hydrochloric Acid SCHEMBL4378504 0.86 KDM1A (0.56) KDM1ASRCKITKDM4EMAP2K1
SCHEMBL8526204 0.84 EGFR (0.53) KDM1ASRCKITKDM4EAURKA
SCHEMBL7209967 0.84 KDR (0.52) KDM1ASRCKDM4EMAP2K1AURKA
SCHEMBL6244778 0.81 KDM1A (0.51) KDM1ASRCKITKDM4EMAP2K1
SCHEMBL6244776 0.81 KDM1A (0.51) KDM1ASRCKITKDM4EMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912557-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1999-05-06 EP disclosed
WO-1997042187-A1 OXINDOLE DERIVATIVES ZENECA LIMITED (GB) 1997-11-13 WO disclosed