SCHEMBL9623161

SCHEMBL9623161

CN(C)CCN1C(=O)c2cc3[nH]c4c(c3cc2C1=O)CCCC4

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.43
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9622491 0.80 TERT (0.46) TERTHEXAHEXBSLC6A4HRH1
SCHEMBL9622996 0.73 MPO (0.49) TERTHEXAHEXBSLC6A4HRH1
Hydrochloric Acid SCHEMBL9622924 0.68 MEN1 (0.46) TERTHEXAHEXBMEN1KMT2A
SCHEMBL438793 0.66 TERT (0.56) TERTHEXAHEXBSLC6A4HRH1
SCHEMBL25815092 0.65 KDM4E (0.59) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL25811214 0.64 TP53 (0.75) MAPTTP53MEN1KMT2AKDM4E
SCHEMBL17557104 0.64 HEXA (0.61) TERTHEXAHEXBSLC6A4HRH1
SCHEMBL9623274 0.64 TERT (0.49) TERTHEXAHEXBMAPTMEN1
Hydrochloric Acid SCHEMBL9623400 0.63 TERT (0.48) TERTHEXAHEXBMAPTMEN1
SCHEMBL17557141 0.63 FTO (0.57) TERTHEXAHEXBSLC6A4HRH1

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