SCHEMBL29089070

SCHEMBL29089070

CC(C)N1N=Cc2ccccc2C1C=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 13/20 0.32
▸ PSEN2 P49810 13/20 0.32
▸ APH1B Q8WW43 13/20 0.32
▸ NCSTN Q92542 13/20 0.32
▸ APH1A Q96BI3 13/20 0.32
▸ PSENEN Q9NZ42 13/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL28182028 0.79 MAPT (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL28766401 0.73 ALDH1A1 (0.36) MAPTKDM4ERECQLMEN1KMT2A
SCHEMBL28766378 0.73 KDM4E (0.35) MAPTKDM4ERECQLMEN1KMT2A
SCHEMBL29089072 0.70 KDM4E (0.33) KDM4ERECQL
SCHEMBL28766416 0.69 PRKCZ (0.34) MAPTKDM4E
SCHEMBL28766421 0.69 ALDH1A1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29089042 0.69 KDM4E (0.32) KDM4ERECQL
SCHEMBL28089129 0.68 BRD4 (0.49) MAPTKDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL27913881 0.67 BRD4 (0.47) MAPTKDM4EMEN1KMT2A
SCHEMBL7141507 0.65 PSEN1 (0.30) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-114560814-B Synthesis method of substituted 2, 3-naphthyridine ketone compound 天津理工大学 2023-10-20 — — CN disclosed
Send feedback