SCHEMBL22954064

SCHEMBL22954064

COc1ccc(CN)cc1CN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
PRMT6 Q96LA8 1/20 0.51
GAA P10253 1/20 0.48
SPIN1 Q9Y657 1/20 0.47

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
SCHEMBL6948205 0.88 MEN1 (0.54) KDM4ETDP1MEN1KMT2AALDH1A1
Ammonia Solution, Strong SCHEMBL28428315 0.87 GAA (0.51) KDM4ETDP1L3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL7563158 0.80 KDM4E (0.64) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL12879726 0.80 KDM4E (0.68) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL9830022 0.80 KDM4E (0.68) KDM4ETDP1L3MBTL1MEN1KMT2A
Benzylamine SCHEMBL28105106 0.78 MEN1 (0.71) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL27765972 0.78 KDM4E (0.66) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL3381031 0.78 KDM4E (0.66) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL14149254 0.78 KDM4E (0.66) KDM4ETDP1L3MBTL1MEN1KMT2A
SCHEMBL6225676 0.77 F2 (0.58) KDM4ETDP1MEN1KMT2AALDH1A1

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
WO-2021021004-A1 3,6,9-TRIAZATRICYCLOTETRADECANE DERIVATIVE AND USE THEREOF FOR TREATING DEPRESSION Общество с ограниченной ответственностью "Кью Эм Фарма" 2021-02-04 WO disclosed