SCHEMBL28766401

SCHEMBL28766401

O=CC1c2ccccc2C=NN1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL28766378 0.89 KDM4E (0.35) ALDH1A1KDM4ERECQLMEN1KMT2A
SCHEMBL29089072 0.89 KDM4E (0.33) ALDH1A1KDM4ERECQL
SCHEMBL28766421 0.88 ALDH1A1 (0.33) ALDH1A1KDM4ERECQLMEN1KMT2A
SCHEMBL29089042 0.88 KDM4E (0.32) ALDH1A1KDM4ERECQL
SCHEMBL28766416 0.79 PRKCZ (0.34) ALDH1A1KDM4EMAPT
SCHEMBL28182028 0.77 MAPT (0.33) ALDH1A1KDM4ERECQLMEN1KMT2A
SCHEMBL29089070 0.73 PSEN1 (0.32) KDM4ERECQLMEN1KMT2AMAPT
SCHEMBL16245516 0.69 BRD4 (0.38) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL27696136 0.69 EGFR (0.35) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL27408062 0.68 MEN1 (0.30) MEN1KMT2AP2RX7

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 2 patents. 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
CN-114560814-A Synthesis method of substituted 2, 3-phthalazinone compound 天津理工大学 2022-05-31 — — CN disclosed
Send feedback