SCHEMBL9623078

SCHEMBL9623078

COc1cc2[nH]c3ccc4c(c3c2cc1OC)C(=O)N(CCN(C)C)C4=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.47
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
PLK1 P53350 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAOB P27338 1/20 0.38
MPO P05164 1/20 0.38
XDH P47989 1/20 0.38
CYP2D6 P10635 1/20 0.38
FTO Q9C0B1 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
DRD2 P14416 1/20 0.37
HTR6 P50406 1/20 0.37
NEK1 Q96PY6 1/20 0.37
BRD4 O60885 1/20 0.36
BRD2 P25440 1/20 0.36

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
SCHEMBL29351752 1.00 TERT (0.47) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL9623034 0.87 TERT (0.47) TERTHEXAHEXBPLK1TDP1
SCHEMBL9623274 0.84 TERT (0.49) TERTHEXAHEXBSTAT3HIF1A
Hydrochloric Acid SCHEMBL9623400 0.83 TERT (0.48) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL9623021 0.82 WEE1 (0.51) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL9622438 0.82 TERT (0.49) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL29358400 0.82 TERT (0.49) TERTHEXAHEXBSTAT3HIF1A
Hydrochloric Acid SCHEMBL9623357 0.81 WEE1 (0.50) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL9622936 0.81 TERT (0.52) TERTHEXAHEXBSTAT3HIF1A
Hydrochloric Acid SCHEMBL9622732 0.80 TERT (0.51) TERTHEXAHEXBSTAT3HIF1A

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
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed