SCHEMBL9622936

SCHEMBL9622936

CN(C)CCN1C(=O)c2ccc3[nH]c4ccccc4c3c2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.52
PARP1 P09874 1/20 0.48
HEXA P06865 1/20 0.48
HEXB P07686 1/20 0.48
MPO P05164 4/20 0.46
HAVCR2 Q8TDQ0 1/20 0.46
DRD2 P14416 3/20 0.46
HTR6 P50406 3/20 0.46
PLK1 P53350 4/20 0.46
STAT3 P40763 1/20 0.44
HIF1A Q16665 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44

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
Hydrochloric Acid SCHEMBL9622732 0.99 TERT (0.51) TERTPARP1HEXAHEXBMPO
SCHEMBL29358400 0.85 TERT (0.49) TERTHEXAHEXBMPODRD2
SCHEMBL9623021 0.85 WEE1 (0.51) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL9622438 0.85 TERT (0.49) TERTHEXAHEXBMPODRD2
Hydrochloric Acid SCHEMBL9623357 0.84 WEE1 (0.50) TERTHEXAHEXBSTAT3HIF1A
SCHEMBL5828276 0.84 PARP1 (0.51) PARP1HEXAHEXBLMNAMAPT
SCHEMBL9623034 0.83 TERT (0.47) TERTHEXAHEXBHTR6PLK1
SCHEMBL9623274 0.82 TERT (0.49) TERTHEXAHEXBDRD2HTR6
Hydrochloric Acid SCHEMBL9623400 0.81 TERT (0.48) TERTHEXAHEXBDRD2HTR6
Hydrochloric Acid SCHEMBL9623271 0.81 TERT (0.45) TERTHEXAHEXBPLK1STAT3

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