SCHEMBL31004951

SCHEMBL31004951

COc1c(N)cccc1-c1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 2/20 0.45
▸ SMARCA4 P51532 2/20 0.45
▸ PBRM1 Q86U86 2/20 0.45
▸ NR1H2 P55055 2/20 0.41
▸ GRM5 P41594 9/20 0.41
▸ F12 P00748 3/20 0.39
▸ HTT P42858 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.37
▸ PARP2 Q9UGN5 1/20 0.37

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
SCHEMBL26645545 0.84 GRM5 (0.45) SMARCA2SMARCA4PBRM1NR1H2GRM5
SCHEMBL31004926 0.80 SMARCA2 (0.41) SMARCA2SMARCA4PBRM1NR1H2F12
SCHEMBL19549826 0.79 CD274 (0.53) SMARCA2SMARCA4PBRM1NR1H2GRM5
SCHEMBL26645772 0.79 GRM5 (0.51) NR1H2GRM5HTTMEN1KMT2A
SCHEMBL26645030 0.77 HTT (0.55) NR1H2GRM5HTTMEN1KMT2A
SCHEMBL23389957 0.76 GRM5 (0.67) NR1H2GRM5
SCHEMBL29796602 0.76 GRM5 (0.67) NR1H2GRM5
SCHEMBL12307412 0.76 NR1H2 (0.48) SMARCA2SMARCA4PBRM1NR1H2GRM5
SCHEMBL18200199 0.76 GRM5 (0.52) NR1H2GRM5
SCHEMBL16711195 0.76 GRM5 (0.50) NR1H2GRM5

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-2024174229-A1 COVALENT BINDING COMPOUNDS AND COMPOSITIONS ANRUI BIOMEDICAL TECHNOLOGY (GUANGZHOU) CO., LTD. (CN) 2024-08-29 — — WO disclosed
Send feedback